6-chloro-2-N-[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-5-N-(1-cyanocyclopropyl)-1H-indole-2,5-dicarboxamide

C22H14Cl2F4N4O2 — CID 88924523

IUPAC6-chloro-2-N-[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-5-N-(1-cyanocyclopropyl)-1H-indole-2,5-dicarboxamide
SMILESN#CC1(NC(=O)c2cc3cc(C(=O)NC(c4ccc(F)c(Cl)c4)C(F)(F)F)[nH]c3cc2Cl)CC1
InChIInChI=1S/C22H14Cl2F4N4O2/c23-13-8-16-11(5-12(13)19(33)32-21(9-29)3-4-21)7-17(30-16)20(34)31-18(22(26,27)28)10-1-2-15(25)14(24)6-10/h1-2,5-8,18,30H,3-4H2,(H,31,34)(H,32,33)
InChIKeyUWKVVPFDDNCFBC-UHFFFAOYSA-N
MW513.28 g/mol
LogP5.43
Rot. Bonds5

About 6-chloro-2-N-[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-5-N-(1-cyanocyclopropyl)-1H-indole-2,5-dicarboxamide

6-chloro-2-N-[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-5-N-(1-cyanocyclopropyl)-1H-indole-2,5-dicarboxamide (PubChem CID 88924523) has the molecular formula C22H14Cl2F4N4O2 and a molecular weight of 513.28 g/mol. Its IUPAC name is 6-chloro-2-N-[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-5-N-(1-cyanocyclopropyl)-1H-indole-2,5-dicarboxamide.

Molecular Properties

Compound Name6-chloro-2-N-[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-5-N-(1-cyanocyclopropyl)-1H-indole-2,5-dicarboxamide
PubChem CID88924523
Molecular FormulaC22H14Cl2F4N4O2
Molecular Weight513.28 g/mol
Exact Mass512.04
IUPAC Name6-chloro-2-N-[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-5-N-(1-cyanocyclopropyl)-1H-indole-2,5-dicarboxamide
SMILESN#CC1(NC(=O)c2cc3cc(C(=O)NC(c4ccc(F)c(Cl)c4)C(F)(F)F)[nH]c3cc2Cl)CC1
InChIInChI=1S/C22H14Cl2F4N4O2/c23-13-8-16-11(5-12(13)19(33)32-21(9-29)3-4-21)7-17(30-16)20(34)31-18(22(26,27)28)10-1-2-15(25)14(24)6-10/h1-2,5-8,18,30H,3-4H2,(H,31,34)(H,32,33)
InChIKeyUWKVVPFDDNCFBC-UHFFFAOYSA-N
XLogP5.43
TPSA97.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.28
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-N-[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-5-N-(1-cyanocyclopropyl)-1H-indole-2,5-dicarboxamide with MolForge

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Related Compounds

ethyl 6-chloro-2-[[2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)ethyl]carbamoyl]-1H-indole-5-carboxylate
CID 90072181
methyl 6-methyl-2-[[2,2,2-trifluoro-1-(3,4,5-trichlorophenyl)ethyl]carbamoyl]-1H-indole-5-carboxylate
CID 88924409
2-N-[2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2,5-dicarboxamide
CID 162541480
2-[1-(3-chloro-4-fluorophenyl)ethylamino]-N-(1-cyanocyclopentyl)acetamide
CID 75442811
6-propan-2-yl-N-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 141437359
N-(1-cyanocyclopropyl)-4,5-difluoro-2-iodobenzamide
CID 71969796
2-chloro-N-(1-cyanocyclopropyl)-5-[[(1R,3R)-2,2-dichloro-3-[4-(difluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 122615278
5-bromo-2-chloro-N-(1-cyanocyclobutyl)benzamide
CID 54912686
2-chloro-N-(1-cyanocyclopropyl)-5-[[2,2-dichloro-3-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropyl]methylamino]benzamide
CID 146269958
5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
CID 110473984
4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide
CID 60717137
(2R)-N-(1-cyanocyclopropyl)-3-(cyclopropylmethylsulfonyl)-2-[[(1S)-1-(3,4-difluorophenyl)-2,2,2-trifluoroethyl]amino]propanamide
CID 11431223

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-5-N-(1-cyanocyclopropyl)-1H-indole-2,5-dicarboxamide?
The IUPAC name of 6-chloro-2-N-[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-5-N-(1-cyanocyclopropyl)-1H-indole-2,5-dicarboxamide (CID 88924523) is 6-chloro-2-N-[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-5-N-(1-cyanocyclopropyl)-1H-indole-2,5-dicarboxamide.
What is the SMILES notation for 6-chloro-2-N-[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-5-N-(1-cyanocyclopropyl)-1H-indole-2,5-dicarboxamide?
The canonical SMILES for 6-chloro-2-N-[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-5-N-(1-cyanocyclopropyl)-1H-indole-2,5-dicarboxamide is N#CC1(NC(=O)c2cc3cc(C(=O)NC(c4ccc(F)c(Cl)c4)C(F)(F)F)[nH]c3cc2Cl)CC1.
What is the InChIKey of 6-chloro-2-N-[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-5-N-(1-cyanocyclopropyl)-1H-indole-2,5-dicarboxamide?
The InChIKey is UWKVVPFDDNCFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2F4N4O2/c23-13-8-16-11(5-12(13)19(33)32-21(9-29)3-4-21)7-17(30-16)20(34)31-18(22(26,27)28)10-1-2-15(25)14(24)6-10/h1-2,5-8,18,30H,3-4H2,(H,31,34)(H,32,33).
What are the key properties of 6-chloro-2-N-[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-5-N-(1-cyanocyclopropyl)-1H-indole-2,5-dicarboxamide?
6-chloro-2-N-[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-5-N-(1-cyanocyclopropyl)-1H-indole-2,5-dicarboxamide has a molecular weight of 513.28 g/mol, XLogP of 5.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[1-(3-chloro-4-fluorophenyl)-2,2,2-trifluoroethyl]-5-N-(1-cyanocyclopropyl)-1H-indole-2,5-dicarboxamide is sourced from PubChem (CID 88924523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).