5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide

C136H125Cl4F3N16O8 — CID 162247821

IUPAC5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(F)ccc2n1C)c1ccccc1.C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1ccccc1.O=C(NCc1cc2cc(F)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C18H17FN2O.4C17H15ClN2O.C17H15FN2O.C17H20N2O.C16H13FN2O/c1-12(13-6-4-3-5-7-13)20-18(22)17-11-14-10-15(19)8-9-16(14)21(17)2;2*1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;3*1-11(12-5-3-2-4-6-12)19-17(21)16-9-13-7-8-14(18)10-15(13)20-16;1-12(13-7-3-2-4-8-13)18-17(20)16-11-14-9-5-6-10-15(14)19-16;17-13-6-7-15-12(8-13)9-14(19-15)10-18-16(20)11-4-2-1-3-5-11/h3-12H,1-2H3,(H,20,22);5*2-11,20H,1H3,(H,19,21);2-4,7-8,11-12,19H,5-6,9-10H2,1H3,(H,18,20);1-9,19H,10H2,(H,18,20)/t12-;5*11-;12-;/m1101001./s1
InChIKeyZXOQSMBOIZSOEE-NAVPUDSJSA-N
MW2310.41 g/mol
LogP31.48
Rot. Bonds24

About 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide

5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide (PubChem CID 162247821) has the molecular formula C136H125Cl4F3N16O8 and a molecular weight of 2310.41 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
PubChem CID162247821
Molecular FormulaC136H125Cl4F3N16O8
Molecular Weight2310.41 g/mol
Exact Mass2306.86
IUPAC Name5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(F)ccc2n1C)c1ccccc1.C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1ccccc1.O=C(NCc1cc2cc(F)ccc2[nH]1)c1ccccc1
InChIInChI=1S/C18H17FN2O.4C17H15ClN2O.C17H15FN2O.C17H20N2O.C16H13FN2O/c1-12(13-6-4-3-5-7-13)20-18(22)17-11-14-10-15(19)8-9-16(14)21(17)2;2*1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;3*1-11(12-5-3-2-4-6-12)19-17(21)16-9-13-7-8-14(18)10-15(13)20-16;1-12(13-7-3-2-4-8-13)18-17(20)16-11-14-9-5-6-10-15(14)19-16;17-13-6-7-15-12(8-13)9-14(19-15)10-18-16(20)11-4-2-1-3-5-11/h3-12H,1-2H3,(H,20,22);5*2-11,20H,1H3,(H,19,21);2-4,7-8,11-12,19H,5-6,9-10H2,1H3,(H,18,20);1-9,19H,10H2,(H,18,20)/t12-;5*11-;12-;/m1101001./s1
InChIKeyZXOQSMBOIZSOEE-NAVPUDSJSA-N
XLogP31.48
TPSA348.26 Ų
H-Bond Donors15
H-Bond Acceptors9
Rotatable Bonds24
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002310.41
LogP ≤ 531.48
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 109

Analyze 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1S)-2-[2-[(Z)-(1-benzyl-6-fluoro-2-oxoindol-3-ylidene)-(1H-indol-2-yl)methyl]anilino]-1-(4-chlorophenyl)-2-oxoethyl]benzamide
CID 162413957
N-[(2S)-1-[(1S,4S)-5-(6-chloro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-7-fluoro-1H-indole-2-carboxamide
CID 67072153
6-chloro-N-[(2S)-1-[(1S,4S)-5-(7-fluoro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 67072164
6-chloro-N-[(2S)-1-[(1S,4S)-5-(4-fluoro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 67072536
6-chloro-N-[(2S)-1-[(1S,4S)-5-(6-fluoro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 67072609
6-chloro-N-[4-[(1S,4S)-5-(6-fluoro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2,2-dimethyl-4-oxobutyl]-1H-indole-2-carboxamide
CID 67215477
N-[1-[5-(6-chloro-1H-indole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-7-fluoro-1H-indole-2-carboxamide
CID 77221278
6-chloro-N-[1-[5-(4-fluoro-1H-indole-2-carbonyl)-1-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
CID 90817029
6-chloro-N-[1-[(1R,4S)-5-(7-fluoro-1H-indole-2-carbonyl)-1-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 143931481
6-chloro-N-[1-[5-(4-fluoro-1H-indole-2-carbonyl)-1-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
CID 143931556
2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-N-(3,3-dimethylbutyl)acetamide;2-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-N-(2,2-dimethylpropyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(3,3-dimethylbutyl)acetamide;2-[1-(4-chlorobenzoyl)-5-methyl-2-(trifluoromethyl)indol-3-yl]-N-(2,2-dimethylpropyl)acetamide
CID 157405266
[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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide (CID 162247821) is 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide is C[C@@H](NC(=O)c1cc2c([nH]1)CCCC2)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.C[C@@H](NC(=O)c1cc2cc(F)ccc2n1C)c1ccccc1.C[C@@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2ccc(Cl)cc2[nH]1)c1ccccc1.C[C@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1ccccc1.O=C(NCc1cc2cc(F)ccc2[nH]1)c1ccccc1.
What is the InChIKey of 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
The InChIKey is ZXOQSMBOIZSOEE-NAVPUDSJSA-N. The full InChI is InChI=1S/C18H17FN2O.4C17H15ClN2O.C17H15FN2O.C17H20N2O.C16H13FN2O/c1-12(13-6-4-3-5-7-13)20-18(22)17-11-14-10-15(19)8-9-16(14)21(17)2;2*1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16;3*1-11(12-5-3-2-4-6-12)19-17(21)16-9-13-7-8-14(18)10-15(13)20-16;1-12(13-7-3-2-4-8-13)18-17(20)16-11-14-9-5-6-10-15(14)19-16;17-13-6-7-15-12(8-13)9-14(19-15)10-18-16(20)11-4-2-1-3-5-11/h3-12H,1-2H3,(H,20,22);5*2-11,20H,1H3,(H,19,21);2-4,7-8,11-12,19H,5-6,9-10H2,1H3,(H,18,20);1-9,19H,10H2,(H,18,20)/t12-;5*11-;12-;/m1101001./s1.
What are the key properties of 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide?
5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide has a molecular weight of 2310.41 g/mol, XLogP of 31.48, 24 rotatable bonds, 15 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1R)-1-phenylethyl]-1H-indole-2-carboxamide;6-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(5-fluoro-1H-indol-2-yl)methyl]benzamide;5-fluoro-1-methyl-N-[(1R)-1-phenylethyl]indole-2-carboxamide;6-fluoro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide;N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 162247821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).