N-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide

C16H13ClFN3O2 — CID 71920410

IUPACN-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cc(F)cc3[nH]cnc23)cc1Cl
InChIInChI=1S/C16H13ClFN3O2/c1-21(10-3-4-14(23-2)12(17)7-10)16(22)11-5-9(18)6-13-15(11)20-8-19-13/h3-8H,1-2H3,(H,19,20)
InChIKeyAQSINAVLLQKPQE-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.64
Rot. Bonds3

About N-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide (PubChem CID 71920410) has the molecular formula C16H13ClFN3O2 and a molecular weight of 333.75 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide
PubChem CID71920410
Molecular FormulaC16H13ClFN3O2
Molecular Weight333.75 g/mol
Exact Mass333.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide
SMILESCOc1ccc(N(C)C(=O)c2cc(F)cc3[nH]cnc23)cc1Cl
InChIInChI=1S/C16H13ClFN3O2/c1-21(10-3-4-14(23-2)12(17)7-10)16(22)11-5-9(18)6-13-15(11)20-8-19-13/h3-8H,1-2H3,(H,19,20)
InChIKeyAQSINAVLLQKPQE-UHFFFAOYSA-N
XLogP3.64
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-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

5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid
CID 138041845
N-(3-chloro-4-methoxyphenyl)-4-(dimethylamino)-N-methylpyridine-2-carboxamide
CID 86801277
N-methyl-N-phenyl-1H-benzimidazole-4-carboxamide
CID 110700901
N-(3-chloro-4-methoxyphenyl)-N,1-dimethylpyrazole-4-carboxamide
CID 71920533
N-(3-chloro-4-methoxyphenyl)-3-hydroxy-N-methyl-2-nitrobenzamide
CID 119050993
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852
N-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 99714138
N-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 119042265
N-(3,4-dimethoxyphenyl)-2,3,4-trifluoro-N-methylbenzamide
CID 110425434
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-fluoro-1H-benzimidazol-4-yl)methanone
CID 71892501
4-(3-chloro-N-ethyl-4-methoxyanilino)butanoic acid
CID 100521803
1-amino-N-(3-chloro-4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide;hydrochloride
CID 119807505

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide (CID 71920410) is N-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide is COc1ccc(N(C)C(=O)c2cc(F)cc3[nH]cnc23)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide?
The InChIKey is AQSINAVLLQKPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O2/c1-21(10-3-4-14(23-2)12(17)7-10)16(22)11-5-9(18)6-13-15(11)20-8-19-13/h3-8H,1-2H3,(H,19,20).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide has a molecular weight of 333.75 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-fluoro-N-methyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 71920410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).