4-(5-chloro-1H-indole-2-carbonyl)-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-[4-(1,1-difluoroethyl)phenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(4-methylphenyl)piperazine-1-carboxamide;molecular hydrogen

C86H85Cl4F5N16O8 — CID 159775175

IUPAC4-(5-chloro-1H-indole-2-carbonyl)-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-[4-(1,1-difluoroethyl)phenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(4-methylphenyl)piperazine-1-carboxamide;molecular hydrogen
SMILESCC(F)(F)c1cc(NC(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)ccc1F.CC(F)(F)c1ccc(NC(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.Cc1ccc(NC(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.Cc1cccc(NC(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.[H][H]
InChIInChI=1S/C22H20ClF3N4O2.C22H21ClF2N4O2.2C21H21ClN4O2.H2/c1-22(25,26)16-12-15(3-4-17(16)24)27-21(32)30-8-6-29(7-9-30)20(31)19-11-13-10-14(23)2-5-18(13)28-19;1-22(24,25)15-2-5-17(6-3-15)26-21(31)29-10-8-28(9-11-29)20(30)19-13-14-12-16(23)4-7-18(14)27-19;1-14-2-5-17(6-3-14)23-21(28)26-10-8-25(9-11-26)20(27)19-13-15-12-16(22)4-7-18(15)24-19;1-14-3-2-4-17(11-14)23-21(28)26-9-7-25(8-10-26)20(27)19-13-15-12-16(22)5-6-18(15)24-19;/h2-5,10-12,28H,6-9H2,1H3,(H,27,32);2-7,12-13,27H,8-11H2,1H3,(H,26,31);2-7,12-13,24H,8-11H2,1H3,(H,23,28);2-6,11-13,24H,7-10H2,1H3,(H,23,28);1H
InChIKeyNGQINSPUUOHOHO-UHFFFAOYSA-N
MW1707.53 g/mol
LogP18.47
Rot. Bonds10

About 4-(5-chloro-1H-indole-2-carbonyl)-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-[4-(1,1-difluoroethyl)phenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(4-methylphenyl)piperazine-1-carboxamide;molecular hydrogen

4-(5-chloro-1H-indole-2-carbonyl)-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-[4-(1,1-difluoroethyl)phenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(4-methylphenyl)piperazine-1-carboxamide;molecular hydrogen (PubChem CID 159775175) has the molecular formula C86H85Cl4F5N16O8 and a molecular weight of 1707.53 g/mol. Its IUPAC name is 4-(5-chloro-1H-indole-2-carbonyl)-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-[4-(1,1-difluoroethyl)phenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(4-methylphenyl)piperazine-1-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name4-(5-chloro-1H-indole-2-carbonyl)-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-[4-(1,1-difluoroethyl)phenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(4-methylphenyl)piperazine-1-carboxamide;molecular hydrogen
PubChem CID159775175
Molecular FormulaC86H85Cl4F5N16O8
Molecular Weight1707.53 g/mol
Exact Mass1704.54
IUPAC Name4-(5-chloro-1H-indole-2-carbonyl)-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-[4-(1,1-difluoroethyl)phenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(4-methylphenyl)piperazine-1-carboxamide;molecular hydrogen
SMILESCC(F)(F)c1cc(NC(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)ccc1F.CC(F)(F)c1ccc(NC(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.Cc1ccc(NC(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.Cc1cccc(NC(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.[H][H]
InChIInChI=1S/C22H20ClF3N4O2.C22H21ClF2N4O2.2C21H21ClN4O2.H2/c1-22(25,26)16-12-15(3-4-17(16)24)27-21(32)30-8-6-29(7-9-30)20(31)19-11-13-10-14(23)2-5-18(13)28-19;1-22(24,25)15-2-5-17(6-3-15)26-21(31)29-10-8-28(9-11-29)20(30)19-13-14-12-16(23)4-7-18(14)27-19;1-14-2-5-17(6-3-14)23-21(28)26-10-8-25(9-11-26)20(27)19-13-15-12-16(22)4-7-18(15)24-19;1-14-3-2-4-17(11-14)23-21(28)26-9-7-25(8-10-26)20(27)19-13-15-12-16(22)5-6-18(15)24-19;/h2-5,10-12,28H,6-9H2,1H3,(H,27,32);2-7,12-13,27H,8-11H2,1H3,(H,26,31);2-7,12-13,24H,8-11H2,1H3,(H,23,28);2-6,11-13,24H,7-10H2,1H3,(H,23,28);1H
InChIKeyNGQINSPUUOHOHO-UHFFFAOYSA-N
XLogP18.47
TPSA273.76 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001707.53
LogP ≤ 518.47
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 4-(5-chloro-1H-indole-2-carbonyl)-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-[4-(1,1-difluoroethyl)phenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(4-methylphenyl)piperazine-1-carboxamide;molecular hydrogen with MolForge

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Related Compounds

4-(5-chloro-1H-indole-2-carbonyl)-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]piperazine-1-carboxamide
CID 122435011
4-(5-chloro-1H-indole-2-carbonyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 122435999
N-[3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide;(2S,4R)-1-[2-(3-acetyl-5-isocyanatoindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;3,3-difluoropiperidine;hydrochloride
CID 157394500
[1-(4-Chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-fluorophenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(4-methylphenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(2,3,4,5,6-pentafluorophenyl)methanone;[1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 157809192
(5-chloro-1H-indol-2-yl)-[4-[[4-(1,1-difluoroethyl)-3-fluorophenyl]methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[(2-fluoro-4-methylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 157859090
(4-benzhydrylpiperazin-1-yl)-(5-tert-butyl-3-methyl-1H-indol-2-yl)methanone;(4-benzhydrylpiperazin-1-yl)-(2-chloroquinolin-3-yl)methanone;(5-chloro-1H-indol-2-yl)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;(5-chloro-1H-indol-2-yl)-[4-[[4-methyl-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 158421019
N-[3-acetyl-1-[2-[(2S,4R)-2-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-4-fluoropyrrolidin-1-yl]-2-oxoethyl]indol-5-yl]-3,3-difluoropiperidine-1-carboxamide;(2S,4R)-1-[2-(3-acetyl-5-isocyanatoindol-1-yl)acetyl]-N-[(3-chloro-2-fluorophenyl)methyl]-4-fluoropyrrolidine-2-carboxamide;3,3-difluoropiperidine;methane;hydrochloride
CID 158970348
4-[[1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]carbamoylamino]benzamide;1-[1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-3-(4-chlorophenyl)urea;1-[1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-3-[4-(dimethylamino)phenyl]urea;1-[1-[(3R)-6-chloro-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxobutan-2-yl]-3-(4-fluorophenyl)urea;methane;tris(2,2,2-trifluoroacetic acid)
CID 159178491
8-azaspiro[4.5]decan-8-yl-(5-chloro-1H-indol-2-yl)methanone;7-azaspiro[3.5]nonan-7-yl-(5-chloro-1H-indol-2-yl)methanone;[7-(5-chloro-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone;[7-(5-chloro-1H-indole-2-carbonyl)-2,7-diazaspiro[3.5]nonan-2-yl]-(4-methylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[2-[(3-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-7-yl]methanone;[1-[(4-fluorophenyl)methyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-(5-methyl-1H-indol-2-yl)methanone
CID 161352709
5-chloro-7-fluoro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-(2-methyl-1-phenylpropyl)-1H-indole-2-carboxamide;5-chloro-N-(1-phenylpropyl)-1H-indole-2-carboxamide;6-(difluoromethyl)-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-N-methyl-2-N-(1-phenylethyl)-1H-indole-2,5-dicarboxamide;N-[(1R)-1-phenylethyl]-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 161927501
(2-chloro-4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(5-methylcyclohexa-1,3-dien-1-yl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone;(4-methylphenyl)-[4-[5-(trifluoromethyl)-1H-indole-2-carbonyl]piperazin-1-yl]methanone
CID 162129771
8-(5-chloro-1H-indole-2-carbonyl)-1,8-diazaspiro[4.5]decane-2,4-dione;[3-(5-chloro-1H-indole-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]-[4-(1,1-difluoroethyl)-3-fluorophenyl]methanone;(5-chloro-1H-indol-2-yl)-[7-[(4-methylphenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]methanone
CID 162227168

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1H-indole-2-carbonyl)-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-[4-(1,1-difluoroethyl)phenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(4-methylphenyl)piperazine-1-carboxamide;molecular hydrogen?
The IUPAC name of 4-(5-chloro-1H-indole-2-carbonyl)-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-[4-(1,1-difluoroethyl)phenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(4-methylphenyl)piperazine-1-carboxamide;molecular hydrogen (CID 159775175) is 4-(5-chloro-1H-indole-2-carbonyl)-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-[4-(1,1-difluoroethyl)phenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(4-methylphenyl)piperazine-1-carboxamide;molecular hydrogen.
What is the SMILES notation for 4-(5-chloro-1H-indole-2-carbonyl)-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-[4-(1,1-difluoroethyl)phenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(4-methylphenyl)piperazine-1-carboxamide;molecular hydrogen?
The canonical SMILES for 4-(5-chloro-1H-indole-2-carbonyl)-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-[4-(1,1-difluoroethyl)phenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(4-methylphenyl)piperazine-1-carboxamide;molecular hydrogen is CC(F)(F)c1cc(NC(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)ccc1F.CC(F)(F)c1ccc(NC(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.Cc1ccc(NC(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.Cc1cccc(NC(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.[H][H].
What is the InChIKey of 4-(5-chloro-1H-indole-2-carbonyl)-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-[4-(1,1-difluoroethyl)phenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(4-methylphenyl)piperazine-1-carboxamide;molecular hydrogen?
The InChIKey is NGQINSPUUOHOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF3N4O2.C22H21ClF2N4O2.2C21H21ClN4O2.H2/c1-22(25,26)16-12-15(3-4-17(16)24)27-21(32)30-8-6-29(7-9-30)20(31)19-11-13-10-14(23)2-5-18(13)28-19;1-22(24,25)15-2-5-17(6-3-15)26-21(31)29-10-8-28(9-11-29)20(30)19-13-14-12-16(23)4-7-18(14)27-19;1-14-2-5-17(6-3-14)23-21(28)26-10-8-25(9-11-26)20(27)19-13-15-12-16(22)4-7-18(15)24-19;1-14-3-2-4-17(11-14)23-21(28)26-9-7-25(8-10-26)20(27)19-13-15-12-16(22)5-6-18(15)24-19;/h2-5,10-12,28H,6-9H2,1H3,(H,27,32);2-7,12-13,27H,8-11H2,1H3,(H,26,31);2-7,12-13,24H,8-11H2,1H3,(H,23,28);2-6,11-13,24H,7-10H2,1H3,(H,23,28);1H.
What are the key properties of 4-(5-chloro-1H-indole-2-carbonyl)-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-[4-(1,1-difluoroethyl)phenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(4-methylphenyl)piperazine-1-carboxamide;molecular hydrogen?
4-(5-chloro-1H-indole-2-carbonyl)-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-[4-(1,1-difluoroethyl)phenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(4-methylphenyl)piperazine-1-carboxamide;molecular hydrogen has a molecular weight of 1707.53 g/mol, XLogP of 18.47, 10 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1H-indole-2-carbonyl)-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-[4-(1,1-difluoroethyl)phenyl]piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(3-methylphenyl)piperazine-1-carboxamide;4-(5-chloro-1H-indole-2-carbonyl)-N-(4-methylphenyl)piperazine-1-carboxamide;molecular hydrogen is sourced from PubChem (CID 159775175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).