3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide

C19H14ClFN4O — CID 47799450

IUPAC3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)c(F)c1)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C19H14ClFN4O/c20-17-13-3-1-2-4-15(13)24-18(17)19(26)23-10-12-5-6-16(14(21)9-12)25-8-7-22-11-25/h1-9,11,24H,10H2,(H,23,26)
InChIKeyXYNICSUSOCDKNF-UHFFFAOYSA-N
MW368.80 g/mol
LogP4.08
Rot. Bonds4

About 3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide

3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide (PubChem CID 47799450) has the molecular formula C19H14ClFN4O and a molecular weight of 368.80 g/mol. Its IUPAC name is 3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide
PubChem CID47799450
Molecular FormulaC19H14ClFN4O
Molecular Weight368.80 g/mol
Exact Mass368.08
IUPAC Name3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)c(F)c1)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C19H14ClFN4O/c20-17-13-3-1-2-4-15(13)24-18(17)19(26)23-10-12-5-6-16(14(21)9-12)25-8-7-22-11-25/h1-9,11,24H,10H2,(H,23,26)
InChIKeyXYNICSUSOCDKNF-UHFFFAOYSA-N
XLogP4.08
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)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

4-acetyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 47737555
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47933212
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86843766
3-chloro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55909509
4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 60584832
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3,4,5-trimethoxybenzamide
CID 60584920
3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-fluorophenyl)-1-methylurea
CID 166194769
cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 95192041
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119863400
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylacetamide
CID 56513855
4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride
CID 120564989
3,4-diethoxy-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 47799517

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide (CID 47799450) is 3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide is O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1[nH]c2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is XYNICSUSOCDKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O/c20-17-13-3-1-2-4-15(13)24-18(17)19(26)23-10-12-5-6-16(14(21)9-12)25-8-7-22-11-25/h1-9,11,24H,10H2,(H,23,26).
What are the key properties of 3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide?
3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 368.80 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 47799450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).