N-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide

C16H12ClFN2O — CID 113205194

IUPACN-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Cl)[nH]c2cc(F)ccc12
InChIInChI=1S/C16H12ClFN2O/c1-9-11-7-6-10(18)8-14(11)19-15(9)16(21)20-13-5-3-2-4-12(13)17/h2-8,19H,1H3,(H,20,21)
InChIKeyFFKAYLKTLIWKIL-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.52
Rot. Bonds2

About N-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide

N-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide (PubChem CID 113205194) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide
PubChem CID113205194
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC NameN-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2Cl)[nH]c2cc(F)ccc12
InChIInChI=1S/C16H12ClFN2O/c1-9-11-7-6-10(18)8-14(11)19-15(9)16(21)20-13-5-3-2-4-12(13)17/h2-8,19H,1H3,(H,20,21)
InChIKeyFFKAYLKTLIWKIL-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205230
N-cyclopropyl-6-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113205089
N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113204660
N-(2-methoxyphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204283
5-fluoro-3-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-2-carboxamide
CID 113204648
N-(2-chlorophenyl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 2742882
6-fluoro-N-(2-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110859831
6-fluoro-N-(3-fluoro-3-methylcyclobutyl)-3-methyl-1H-indole-2-carboxamide
CID 166318181
N-(2-hydroxyphenyl)-3,5-dimethyl-1H-indole-2-carboxamide
CID 84578341
N-(2,4-dimethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204258
5-fluoro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204627
6-chloro-N-(2-methoxy-5-methylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113205343

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide (CID 113205194) is N-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide is Cc1c(C(=O)Nc2ccccc2Cl)[nH]c2cc(F)ccc12.
What is the InChIKey of N-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide?
The InChIKey is FFKAYLKTLIWKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-9-11-7-6-10(18)8-14(11)19-15(9)16(21)20-13-5-3-2-4-12(13)17/h2-8,19H,1H3,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide?
N-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-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-(2-chlorophenyl)-6-fluoro-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 113205194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).