N-(1-ethylbenzimidazol-4-yl)-4-fluorobenzamide

C16H14FN3O — CID 171559398

IUPACN-(1-ethylbenzimidazol-4-yl)-4-fluorobenzamide
SMILESCCn1cnc2c(NC(=O)c3ccc(F)cc3)cccc21
InChIInChI=1S/C16H14FN3O/c1-2-20-10-18-15-13(4-3-5-14(15)20)19-16(21)11-6-8-12(17)9-7-11/h3-10H,2H2,1H3,(H,19,21)
InChIKeyWQPDIIFXYLHLLN-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.45
Rot. Bonds3

About N-(1-ethylbenzimidazol-4-yl)-4-fluorobenzamide

N-(1-ethylbenzimidazol-4-yl)-4-fluorobenzamide (PubChem CID 171559398) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-4-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-4-yl)-4-fluorobenzamide
PubChem CID171559398
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-(1-ethylbenzimidazol-4-yl)-4-fluorobenzamide
SMILESCCn1cnc2c(NC(=O)c3ccc(F)cc3)cccc21
InChIInChI=1S/C16H14FN3O/c1-2-20-10-18-15-13(4-3-5-14(15)20)19-16(21)11-6-8-12(17)9-7-11/h3-10H,2H2,1H3,(H,19,21)
InChIKeyWQPDIIFXYLHLLN-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-ethylbenzimidazol-4-yl)-4-fluorobenzamide 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-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79041653
N-(1-ethyl-6-oxo-3-pyridinyl)-4-fluorobenzamide
CID 47254966
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
N,N-diethyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 6458358
4-fluoro-N-(3-iodo-2-methylphenyl)benzamide
CID 113368778
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751
4-tert-butyl-N-[2-[(4-fluorobenzoyl)amino]phenyl]benzamide
CID 10500600
4-fluoro-N-(2-iodophenyl)benzamide
CID 687036
N-[1-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 60548513
N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1176514
2-fluoro-6-[(4-fluorobenzoyl)amino]benzoic acid
CID 13390039
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-4-yl)-4-fluorobenzamide?
The IUPAC name of N-(1-ethylbenzimidazol-4-yl)-4-fluorobenzamide (CID 171559398) is N-(1-ethylbenzimidazol-4-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-4-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1-ethylbenzimidazol-4-yl)-4-fluorobenzamide is CCn1cnc2c(NC(=O)c3ccc(F)cc3)cccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-4-yl)-4-fluorobenzamide?
The InChIKey is WQPDIIFXYLHLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-2-20-10-18-15-13(4-3-5-14(15)20)19-16(21)11-6-8-12(17)9-7-11/h3-10H,2H2,1H3,(H,19,21).
What are the key properties of N-(1-ethylbenzimidazol-4-yl)-4-fluorobenzamide?
N-(1-ethylbenzimidazol-4-yl)-4-fluorobenzamide has a molecular weight of 283.31 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-4-yl)-4-fluorobenzamide is sourced from PubChem (CID 171559398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).