N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide

C16H12ClFN2O — CID 21014514

IUPACN-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C16H12ClFN2O/c17-12-3-1-2-10(6-12)9-19-16(21)15-8-11-7-13(18)4-5-14(11)20-15/h1-8,20H,9H2,(H,19,21)
InChIKeyHOEUALWQYYROCM-UHFFFAOYSA-N
MW302.74 g/mol
LogP3.89
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide

N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide (PubChem CID 21014514) has the molecular formula C16H12ClFN2O and a molecular weight of 302.74 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide
PubChem CID21014514
Molecular FormulaC16H12ClFN2O
Molecular Weight302.74 g/mol
Exact Mass302.06
IUPAC NameN-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C16H12ClFN2O/c17-12-3-1-2-10(6-12)9-19-16(21)15-8-11-7-13(18)4-5-14(11)20-15/h1-8,20H,9H2,(H,19,21)
InChIKeyHOEUALWQYYROCM-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-[(3-chlorophenyl)methyl]-5-fluoro-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-benzyl-5-fluoro-1H-indole-2-carboxamide;hydrochloride
CID 44666094
N-benzyl-5-fluoro-1H-indole-2-carboxamide;ethane
CID 144936015
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-5-fluoro-1H-indole-2-carboxamide
CID 46415642
5-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921201
3-(3-chlorophenyl)-1-(5-fluoro-1H-indol-2-yl)propan-1-one
CID 58125929
5-chloro-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1H-indole-2-carboxamide
CID 46558117
5-chloro-N-[(4-fluorophenyl)methyl]-1H-indole-2-carboxamide;N-[(3-chlorophenyl)methyl]-1H-indole-2-carboxamide;5-fluoro-N-[(4-methoxyphenyl)methyl]-1H-indole-2-carboxamide;N-[(4-fluorophenyl)methyl]-5-methyl-1H-indole-2-carboxamide;5-methyl-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 157079970
5-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indole-2-carboxamide
CID 21014440
N-[(3-chlorophenyl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829577
6-chloro-N-[[3-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 166373419
5-fluoro-7-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 59557997
N-benzyl-5-[[2-(4-fluorophenyl)acetyl]amino]-1H-indole-2-carboxamide
CID 83289806

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide (CID 21014514) is N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide is O=C(NCc1cccc(Cl)c1)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide?
The InChIKey is HOEUALWQYYROCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O/c17-12-3-1-2-10(6-12)9-19-16(21)15-8-11-7-13(18)4-5-14(11)20-15/h1-8,20H,9H2,(H,19,21).
What are the key properties of N-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide?
N-[(3-chlorophenyl)methyl]-5-fluoro-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-[(3-chlorophenyl)methyl]-5-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 21014514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).