6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide

C16H12ClFN2O — CID 113206366

IUPAC6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H12ClFN2O/c17-11-5-6-12-13(9-19-15(12)7-11)16(21)20-8-10-3-1-2-4-14(10)18/h1-7,9,19H,8H2,(H,20,21)
InChIKeyGESMFUIGVBEEIE-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.89
Rot. Bonds3

About 6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide

6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide (PubChem CID 113206366) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is 6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide
PubChem CID113206366
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC Name6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide
SMILESO=C(NCc1ccccc1F)c1c[nH]c2cc(Cl)ccc12
InChIInChI=1S/C16H12ClFN2O/c17-11-5-6-12-13(9-19-15(12)7-11)16(21)20-8-10-3-1-2-4-14(10)18/h1-7,9,19H,8H2,(H,20,21)
InChIKeyGESMFUIGVBEEIE-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 6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-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

6-chloro-N-[(2-fluorophenyl)methyl]-3-methyl-1H-indole-2-carboxamide
CID 113205279
5-chloro-N-[(2-fluorophenyl)methyl]-2-hydrazinylbenzamide
CID 62248139
N-[2-(2,4-dichlorophenyl)ethyl]-6-fluoro-1H-indole-3-carboxamide
CID 113206229
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
2,4-dichloro-N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 9047368
N-[(2-fluorophenyl)methyl]-2-(1H-indol-3-yl)acetamide
CID 3562962
6-methoxy-N-[(2-methylphenyl)methyl]-1H-indole-3-carboxamide
CID 113206529
2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113209736
6-chloro-N-(2,3,4-trifluorophenyl)-1H-indole-3-carboxamide
CID 113206499
2-chloro-N-[2-(6-chloro-1H-indol-3-yl)ethyl]-6-fluorobenzamide
CID 113083839
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
6-chloro-N-[2-(4-methoxyphenyl)ethyl]-1H-indole-3-carboxamide
CID 113206381

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide?
The IUPAC name of 6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide (CID 113206366) is 6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide is O=C(NCc1ccccc1F)c1c[nH]c2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide?
The InChIKey is GESMFUIGVBEEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-11-5-6-12-13(9-19-15(12)7-11)16(21)20-8-10-3-1-2-4-14(10)18/h1-7,9,19H,8H2,(H,20,21).
What are the key properties of 6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide?
6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-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 6-chloro-N-[(2-fluorophenyl)methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 113206366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).