3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide

C22H18F2N2O2 — CID 46474380

IUPAC3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H18F2N2O2/c1-26(14-15-5-9-18(23)10-6-15)22(28)17-3-2-4-20(13-17)25-21(27)16-7-11-19(24)12-8-16/h2-13H,14H2,1H3,(H,25,27)
InChIKeyGJEHDAOSFDCCNB-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.49
Rot. Bonds5

About 3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide

3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (PubChem CID 46474380) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
PubChem CID46474380
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C22H18F2N2O2/c1-26(14-15-5-9-18(23)10-6-15)22(28)17-3-2-4-20(13-17)25-21(27)16-7-11-19(24)12-8-16/h2-13H,14H2,1H3,(H,25,27)
InChIKeyGJEHDAOSFDCCNB-UHFFFAOYSA-N
XLogP4.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
3-N-benzyl-1-N-(4-fluorophenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109054548
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54842144
4-N-[(4-cyanophenyl)methyl]-1-N-(4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 178070523
N-[3-[benzyl(methyl)carbamoyl]phenyl]-3-bromo-4-methylbenzamide
CID 26162821
3-N-benzyl-3-N-methyl-1-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 109054531
N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 26162903
3-fluoro-N-methyl-N-[[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]methyl]benzamide
CID 39997798
N-(3-acetamidophenyl)-3-[(4-fluorobenzoyl)amino]benzamide
CID 39889179
3-[[4-(diethylaminomethyl)benzoyl]amino]-N,N-diethylbenzamide
CID 55645545
3-(2,2-dimethylpropyl)-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 59836648
4-benzamido-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 46536995

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide (CID 46474380) is 3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is CN(Cc1ccc(F)cc1)C(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
The InChIKey is GJEHDAOSFDCCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c1-26(14-15-5-9-18(23)10-6-15)22(28)17-3-2-4-20(13-17)25-21(27)16-7-11-19(24)12-8-16/h2-13H,14H2,1H3,(H,25,27).
What are the key properties of 3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide?
3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide has a molecular weight of 380.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorobenzoyl)amino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 46474380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).