3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide

C26H21FN2O3 — CID 55687173

IUPAC3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2ccco2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C26H21FN2O3/c1-17-13-14-19(16-22(17)28-26(31)20-10-5-6-11-21(20)27)25(30)29-24(23-12-7-15-32-23)18-8-3-2-4-9-18/h2-16,24H,1H3,(H,28,31)(H,29,30)
InChIKeyAVKOMVTWXYKTFI-UHFFFAOYSA-N
MW428.46 g/mol
LogP5.50
Rot. Bonds6

About 3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide

3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide (PubChem CID 55687173) has the molecular formula C26H21FN2O3 and a molecular weight of 428.46 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide
PubChem CID55687173
Molecular FormulaC26H21FN2O3
Molecular Weight428.46 g/mol
Exact Mass428.15
IUPAC Name3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(c2ccccc2)c2ccco2)cc1NC(=O)c1ccccc1F
InChIInChI=1S/C26H21FN2O3/c1-17-13-14-19(16-22(17)28-26(31)20-10-5-6-11-21(20)27)25(30)29-24(23-12-7-15-32-23)18-8-3-2-4-9-18/h2-16,24H,1H3,(H,28,31)(H,29,30)
InChIKeyAVKOMVTWXYKTFI-UHFFFAOYSA-N
XLogP5.50
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.46
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide 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-[5-[[(4-fluorophenyl)-phenylmethyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55582804
ethyl 3-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-3-phenylpropanoate
CID 60590432
3-fluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928171
3-[(2-fluorobenzoyl)amino]-4-methyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 55724377
N-[(R)-furan-2-yl(phenyl)methyl]-3,5-dimethylbenzamide
CID 8928204
3,5-difluoro-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928311
3-[(2-fluorobenzoyl)amino]-4-methyl-N-methylsulfonylbenzamide
CID 146154056
2,6-difluoro-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134028235
N-(3-chloro-2-methylphenyl)-3-[(2-fluorobenzoyl)amino]-4-methylbenzamide
CID 38953535
N-[(S)-furan-2-yl(phenyl)methyl]-4-(trifluoromethyl)benzamide
CID 8928135
3-[(2-fluorobenzoyl)amino]-N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-4-methylbenzamide
CID 172670156
4-(dimethylamino)-N-[furan-2-yl(phenyl)methyl]benzamide
CID 134029302

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide?
The IUPAC name of 3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide (CID 55687173) is 3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NC(c2ccccc2)c2ccco2)cc1NC(=O)c1ccccc1F.
What is the InChIKey of 3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide?
The InChIKey is AVKOMVTWXYKTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O3/c1-17-13-14-19(16-22(17)28-26(31)20-10-5-6-11-21(20)27)25(30)29-24(23-12-7-15-32-23)18-8-3-2-4-9-18/h2-16,24H,1H3,(H,28,31)(H,29,30).
What are the key properties of 3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide?
3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide has a molecular weight of 428.46 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorobenzoyl)amino]-N-[furan-2-yl(phenyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 55687173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).