6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide

C17H12ClF3N2O — CID 166373419

IUPAC6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C17H12ClF3N2O/c18-13-5-4-11-7-15(23-14(11)8-13)16(24)22-9-10-2-1-3-12(6-10)17(19,20)21/h1-8,23H,9H2,(H,22,24)
InChIKeyRCOIMVIROXYBHS-UHFFFAOYSA-N
MW352.74 g/mol
LogP4.77
Rot. Bonds3

About 6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide

6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide (PubChem CID 166373419) has the molecular formula C17H12ClF3N2O and a molecular weight of 352.74 g/mol. Its IUPAC name is 6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
PubChem CID166373419
Molecular FormulaC17H12ClF3N2O
Molecular Weight352.74 g/mol
Exact Mass352.06
IUPAC Name6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C17H12ClF3N2O/c18-13-5-4-11-7-15(23-14(11)8-13)16(24)22-9-10-2-1-3-12(6-10)17(19,20)21/h1-8,23H,9H2,(H,22,24)
InChIKeyRCOIMVIROXYBHS-UHFFFAOYSA-N
XLogP4.77
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.74
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

6-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 113207547
N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide
CID 21014514
6-bromo-N-[(3-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 175535401
6-chloro-N-(3-phenylpropyl)-1H-indole-2-carboxamide
CID 113207554
2,4,5-trimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 100712114
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921201
3-[(6-chloro-1H-indole-2-carbonyl)amino]propanoic acid
CID 75417841
N-[(4-chlorophenyl)methyl]-6-phenylmethoxy-1H-indole-2-carboxamide
CID 112521847
6-chloro-N-[2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207539
6-chloro-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-indole-2-carboxamide
CID 166189903
3-(4-chlorophenyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 100765319

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide (CID 166373419) is 6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide?
The InChIKey is RCOIMVIROXYBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2O/c18-13-5-4-11-7-15(23-14(11)8-13)16(24)22-9-10-2-1-3-12(6-10)17(19,20)21/h1-8,23H,9H2,(H,22,24).
What are the key properties of 6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide?
6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide has a molecular weight of 352.74 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 166373419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).