N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide

C16H12ClFN2O — CID 46921177

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H12ClFN2O/c17-13-8-12(18)6-5-11(13)9-19-16(21)15-7-10-3-1-2-4-14(10)20-15/h1-8,20H,9H2,(H,19,21)
InChIKeyODKAPTGRISGNFO-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.89
Rot. Bonds3

About N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide

N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 46921177) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
PubChem CID46921177
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(F)cc1Cl)c1cc2ccccc2[nH]1
InChIInChI=1S/C16H12ClFN2O/c17-13-8-12(18)6-5-11(13)9-19-16(21)15-7-10-3-1-2-4-14(10)20-15/h1-8,20H,9H2,(H,19,21)
InChIKeyODKAPTGRISGNFO-UHFFFAOYSA-N
XLogP3.89
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
N-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide
CID 21014514
N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176
N-[3-(4-fluorophenyl)sulfanylpropyl]-1H-indole-2-carboxamide
CID 27802085
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-methyl-1H-indole-2-carboxamide
CID 46474467
N-[2-[(4-chlorobenzoyl)amino]ethyl]-1H-indole-2-carboxamide
CID 34999950
N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 34866358
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1H-indole-2-carboxamide
CID 78864542
[4-[(1H-indole-2-carbonylamino)methyl]phenyl]boronic acid
CID 140927918

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide (CID 46921177) is N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide is O=C(NCc1ccc(F)cc1Cl)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is ODKAPTGRISGNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-13-8-12(18)6-5-11(13)9-19-16(21)15-7-10-3-1-2-4-14(10)20-15/h1-8,20H,9H2,(H,19,21).
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide?
N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 302.74 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 46921177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).