N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide

C16H12ClFN2O — CID 113205698

IUPACN-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C16H12ClFN2O/c1-9-6-10(17)2-4-14(9)20-16(21)13-8-19-15-5-3-11(18)7-12(13)15/h2-8,19H,1H3,(H,20,21)
InChIKeyZGQDGLCQYJTHHO-UHFFFAOYSA-N
MW302.74 g/mol
LogP4.52
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide

N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide (PubChem CID 113205698) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
PubChem CID113205698
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC NameN-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C16H12ClFN2O/c1-9-6-10(17)2-4-14(9)20-16(21)13-8-19-15-5-3-11(18)7-12(13)15/h2-8,19H,1H3,(H,20,21)
InChIKeyZGQDGLCQYJTHHO-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

5-chloro-N-(2,4-difluorophenyl)-1H-indole-3-carboxamide
CID 113205928
N-(2-bromo-4-methylphenyl)-5-fluoro-1H-indole-3-carboxamide
CID 113205741
N-(2,4-dimethylphenyl)-6-fluoro-1H-indole-3-carboxamide
CID 113206239
N-(4-bromo-2-methylphenyl)-6-chloro-1H-indole-3-carboxamide
CID 113206476
N-(2,4-difluorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849781
N-(4-bromo-3-methylphenyl)-5-chloro-1H-indole-3-carboxamide
CID 113205923
N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849727
6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide
CID 113206499
4-N-(4-chloro-2-methylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049900
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206042
5-amino-N-(4-fluoro-3-methylphenyl)-1H-indole-3-carboxamide
CID 63117335

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide (CID 113205698) is N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide?
The InChIKey is ZGQDGLCQYJTHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c1-9-6-10(17)2-4-14(9)20-16(21)13-8-19-15-5-3-11(18)7-12(13)15/h2-8,19H,1H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide?
N-(4-chloro-2-methylphenyl)-5-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-(4-chloro-2-methylphenyl)-5-fluoro-1H-indole-3-carboxamide is sourced from PubChem (CID 113205698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).