6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide

C15H8ClF3N2O — CID 113206499

IUPAC6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H8ClF3N2O/c16-7-1-2-8-9(6-20-12(8)5-7)15(22)21-11-4-3-10(17)13(18)14(11)19/h1-6,20H,(H,21,22)
InChIKeyXIBGCYIPIGVPAD-UHFFFAOYSA-N
MW324.69 g/mol
LogP4.49
Rot. Bonds2

About 6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide

6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide (PubChem CID 113206499) has the molecular formula C15H8ClF3N2O and a molecular weight of 324.69 g/mol. Its IUPAC name is 6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide
PubChem CID113206499
Molecular FormulaC15H8ClF3N2O
Molecular Weight324.69 g/mol
Exact Mass324.03
IUPAC Name6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C15H8ClF3N2O/c16-7-1-2-8-9(6-20-12(8)5-7)15(22)21-11-4-3-10(17)13(18)14(11)19/h1-6,20H,(H,21,22)
InChIKeyXIBGCYIPIGVPAD-UHFFFAOYSA-N
XLogP4.49
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.69
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide
CID 113206476
5-chloro-N-(2,4-difluorophenyl)-1H-indole-3-carboxamide
CID 113205928
N-(4-chlorophenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206260
N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205698
6-chloro-N-[4-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 113206465
6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide
CID 113206366
6-chloro-N-(5-methyl-1,2-oxazol-3-yl)-1H-indole-3-carboxamide
CID 113206502
4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 30430877
CID 170645729
CID 170645729
6-chloro-1H-indole-3-carboxamide
CID 130666489
2-(6-chloro-1H-indol-3-yl)-2-oxoacetic acid
CID 22556709
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206239

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide?
The IUPAC name of 6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide (CID 113206499) is 6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide?
The InChIKey is XIBGCYIPIGVPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2O/c16-7-1-2-8-9(6-20-12(8)5-7)15(22)21-11-4-3-10(17)13(18)14(11)19/h1-6,20H,(H,21,22).
What are the key properties of 6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide?
6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide has a molecular weight of 324.69 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide is sourced from PubChem (CID 113206499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).