N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide

C16H12ClFN2O — CID 113206264

IUPACN-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
SMILESCc1ccc(NC(=O)c2c[nH]c3cc(F)ccc23)cc1Cl
InChIInChI=1S/C16H12ClFN2O/c1-9-2-4-11(7-14(9)17)20-16(21)13-8-19-15-6-10(18)3-5-12(13)15/h2-8,19H,1H3,(H,20,21)
InChIKeyAFYNQAPGLDPUPZ-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.52
Rot. Bonds2

About N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide

N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide (PubChem CID 113206264) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
PubChem CID113206264
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC NameN-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
SMILESCc1ccc(NC(=O)c2c[nH]c3cc(F)ccc23)cc1Cl
InChIInChI=1S/C16H12ClFN2O/c1-9-2-4-11(7-14(9)17)20-16(21)13-8-19-15-6-10(18)3-5-12(13)15/h2-8,19H,1H3,(H,20,21)
InChIKeyAFYNQAPGLDPUPZ-UHFFFAOYSA-N
XLogP4.52
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromo-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206270
N-(4-chlorophenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206260
N-(3-chloro-4-methylphenyl)-5-fluoro-2-hydroxybenzamide
CID 115298821
6-fluoro-N-[4-(trifluoromethyl)phenyl]-1H-indole-3-carboxamide
CID 113206284
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206239
6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113206297
6-N-(3-chloro-4-methylphenyl)-2-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109100769
N-(3-chloro-4-methylphenyl)-1H-indole-4-carboxamide
CID 43582392
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
N-(3-chloro-4-methoxyphenyl)-6-methoxy-1H-indole-3-carboxamide
CID 113206630
N-(3,4-dimethylphenyl)-1H-indole-3-carboxamide
CID 43399217
N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205698

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide (CID 113206264) is N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide is Cc1ccc(NC(=O)c2c[nH]c3cc(F)ccc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide?
The InChIKey is AFYNQAPGLDPUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-9-2-4-11(7-14(9)17)20-16(21)13-8-19-15-6-10(18)3-5-12(13)15/h2-8,19H,1H3,(H,20,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide?
N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide has a molecular weight of 302.74 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-fluoro-1H-indole-3-carboxamide is sourced from PubChem (CID 113206264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).