3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide

C21H18F2N2O2 — CID 112982736

IUPAC3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide
SMILESCOc1ccc(CNc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)cc1
InChIInChI=1S/C21H18F2N2O2/c1-27-18-9-2-14(3-10-18)13-24-16-5-7-17(8-6-16)25-21(26)15-4-11-19(22)20(23)12-15/h2-12,24H,13H2,1H3,(H,25,26)
InChIKeyWUQOGKKYLPWKRT-UHFFFAOYSA-N
MW368.38 g/mol
LogP4.84
Rot. Bonds6

About 3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide

3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide (PubChem CID 112982736) has the molecular formula C21H18F2N2O2 and a molecular weight of 368.38 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide
PubChem CID112982736
Molecular FormulaC21H18F2N2O2
Molecular Weight368.38 g/mol
Exact Mass368.13
IUPAC Name3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide
SMILESCOc1ccc(CNc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)cc1
InChIInChI=1S/C21H18F2N2O2/c1-27-18-9-2-14(3-10-18)13-24-16-5-7-17(8-6-16)25-21(26)15-4-11-19(22)20(23)12-15/h2-12,24H,13H2,1H3,(H,25,26)
InChIKeyWUQOGKKYLPWKRT-UHFFFAOYSA-N
XLogP4.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]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

N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
CID 112982463
4-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9083988
N-[4-[(2-fluorophenyl)methylamino]phenyl]-4-methoxybenzamide
CID 112982380
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 60928382
methyl 4-[(4-methoxyanilino)methyl]benzoate;hydrochloride
CID 141308228
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
N-ethyl-4-[(4-methoxyphenyl)methylamino]benzamide
CID 43728493
3,4-difluoro-N-[3-[(4-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 30451320
N-[4-fluoro-3-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 43672523
3,4-difluoro-N-[4-(pentylamino)phenyl]benzamide
CID 112985224

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide?
The IUPAC name of 3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide (CID 112982736) is 3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide is COc1ccc(CNc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2)cc1.
What is the InChIKey of 3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide?
The InChIKey is WUQOGKKYLPWKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N2O2/c1-27-18-9-2-14(3-10-18)13-24-16-5-7-17(8-6-16)25-21(26)15-4-11-19(22)20(23)12-15/h2-12,24H,13H2,1H3,(H,25,26).
What are the key properties of 3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide?
3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide has a molecular weight of 368.38 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide is sourced from PubChem (CID 112982736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).