5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide

C20H16ClF3N2O — CID 175347600

IUPAC5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide
SMILESO=C(NC1CC1)c1cc(Cl)cc2ccn(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C20H16ClF3N2O/c21-15-9-13-7-8-26(11-12-1-3-14(4-2-12)20(22,23)24)18(13)17(10-15)19(27)25-16-5-6-16/h1-4,7-10,16H,5-6,11H2,(H,25,27)
InChIKeyPLNUGIDYMXAHGM-UHFFFAOYSA-N
MW392.81 g/mol
LogP5.25
Rot. Bonds4

About 5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide

5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide (PubChem CID 175347600) has the molecular formula C20H16ClF3N2O and a molecular weight of 392.81 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide
PubChem CID175347600
Molecular FormulaC20H16ClF3N2O
Molecular Weight392.81 g/mol
Exact Mass392.09
IUPAC Name5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide
SMILESO=C(NC1CC1)c1cc(Cl)cc2ccn(Cc3ccc(C(F)(F)F)cc3)c12
InChIInChI=1S/C20H16ClF3N2O/c21-15-9-13-7-8-26(11-12-1-3-14(4-2-12)20(22,23)24)18(13)17(10-15)19(27)25-16-5-6-16/h1-4,7-10,16H,5-6,11H2,(H,25,27)
InChIKeyPLNUGIDYMXAHGM-UHFFFAOYSA-N
XLogP5.25
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.81
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-cyclopropylindole-7-carboxamide
CID 175076965
tris(4-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide);tris(5-fluoro-N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide)
CID 158382820
2-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carbonyl]amino]spiro[3.3]heptane-6-carboxylic acid
CID 160685609
2-[[1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]spiro[2.3]hexane-5-carboxylic acid
CID 155486123
2-[(2S,4S)-3-[[5-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]acetic acid
CID 170209739
N-[1-(1-bicyclo[1.1.1]pentanyl)cyclopropyl]-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide
CID 158072256
N-(6-methylspiro[3.3]heptan-2-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-b]pyridine-7-carboxamide
CID 159885813
methyl 4-[1-[[5-chloro-1-[(4-chlorophenyl)methyl]indole-7-carbonyl]amino]ethyl]cyclohexane-1-carboxylate
CID 58306901
(3R,4S,5S)-8-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-7-carbonyl]amino]tetracyclo[3.3.0.01,6.03,6]octane-4-carboxylic acid
CID 162609867
N-ethylethanamine;4-[1-[[5-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]cyclopropyl]benzoic acid
CID 25003432
N-(1-methyl-3-propylcyclobutyl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide
CID 170209413
4-[1-[[5-(4-methylpiperazin-1-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carbonyl]amino]cyclopropyl]benzoic acid
CID 176771760

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide (CID 175347600) is 5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide is O=C(NC1CC1)c1cc(Cl)cc2ccn(Cc3ccc(C(F)(F)F)cc3)c12.
What is the InChIKey of 5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide?
The InChIKey is PLNUGIDYMXAHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2O/c21-15-9-13-7-8-26(11-12-1-3-14(4-2-12)20(22,23)24)18(13)17(10-15)19(27)25-16-5-6-16/h1-4,7-10,16H,5-6,11H2,(H,25,27).
What are the key properties of 5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide?
5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide has a molecular weight of 392.81 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-1-[[4-(trifluoromethyl)phenyl]methyl]indole-7-carboxamide is sourced from PubChem (CID 175347600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).