4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide

C15H11ClFN3O2 — CID 75454611

IUPAC4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
SMILESO=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H11ClFN3O2/c16-10-3-2-9(6-11(10)17)14(21)18-7-8-1-4-12-13(5-8)20-15(22)19-12/h1-6H,7H2,(H,18,21)(H2,19,20,22)
InChIKeyJJYAKCNXHHSXJP-UHFFFAOYSA-N
MW319.72 g/mol
LogP2.58
Rot. Bonds3

About 4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide

4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide (PubChem CID 75454611) has the molecular formula C15H11ClFN3O2 and a molecular weight of 319.72 g/mol. Its IUPAC name is 4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
PubChem CID75454611
Molecular FormulaC15H11ClFN3O2
Molecular Weight319.72 g/mol
Exact Mass319.05
IUPAC Name4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
SMILESO=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H11ClFN3O2/c16-10-3-2-9(6-11(10)17)14(21)18-7-8-1-4-12-13(5-8)20-15(22)19-12/h1-6H,7H2,(H,18,21)(H2,19,20,22)
InChIKeyJJYAKCNXHHSXJP-UHFFFAOYSA-N
XLogP2.58
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.72
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide 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

1-(4-chloro-3-fluorophenyl)-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 86807539
2,3,4-trifluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 75503771
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791167
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110785256
4-[(5-methyltetrazol-1-yl)methyl]-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide
CID 131901999
N-[(3-chloro-4-fluorophenyl)methyl]-1H-indole-5-carboxamide
CID 63718652
3,4-dichloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzamide
CID 110786732
N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]-2-phenylacetamide
CID 110785246
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
1-benzyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775421
4-amino-N-[(4-chlorophenyl)methyl]-3-fluorobenzamide
CID 55102826
N-[(2-aminophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107997588

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide?
The IUPAC name of 4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide (CID 75454611) is 4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide is O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide?
The InChIKey is JJYAKCNXHHSXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O2/c16-10-3-2-9(6-11(10)17)14(21)18-7-8-1-4-12-13(5-8)20-15(22)19-12/h1-6H,7H2,(H,18,21)(H2,19,20,22).
What are the key properties of 4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide?
4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide has a molecular weight of 319.72 g/mol, XLogP of 2.58, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]benzamide is sourced from PubChem (CID 75454611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).