1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide

C21H16F2N2O3 — CID 109057618

IUPAC1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H16F2N2O3/c1-28-19-8-3-2-7-18(19)25-21(27)14-6-4-5-13(11-14)20(26)24-15-9-10-16(22)17(23)12-15/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyHWAAQGZANPGXML-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.48
Rot. Bonds5

About 1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide

1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide (PubChem CID 109057618) has the molecular formula C21H16F2N2O3 and a molecular weight of 382.37 g/mol. Its IUPAC name is 1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide
PubChem CID109057618
Molecular FormulaC21H16F2N2O3
Molecular Weight382.37 g/mol
Exact Mass382.11
IUPAC Name1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide
SMILESCOc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1
InChIInChI=1S/C21H16F2N2O3/c1-28-19-8-3-2-7-18(19)25-21(27)14-6-4-5-13(11-14)20(26)24-15-9-10-16(22)17(23)12-15/h2-12H,1H3,(H,24,26)(H,25,27)
InChIKeyHWAAQGZANPGXML-UHFFFAOYSA-N
XLogP4.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide 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-(3,4-difluorophenyl)-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109269495
3-[(3-bromobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 52644751
1-N-(3,4-difluorophenyl)-3-N-(2,3-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109057283
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092969
3-anilino-N-(2-methoxyphenyl)benzamide
CID 3501279
2-fluoro-N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]benzamide
CID 46487214
N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 34636649
5-N-(2,6-difluorophenyl)-3-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108890
ethyl N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]carbamate
CID 17415342
3-N-(3,4-dimethylphenyl)-5-N-(2-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108315
5-N-(2-methoxyphenyl)-3-N-(3-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108873

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide (CID 109057618) is 1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide is COc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide?
The InChIKey is HWAAQGZANPGXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N2O3/c1-28-19-8-3-2-7-18(19)25-21(27)14-6-4-5-13(11-14)20(26)24-15-9-10-16(22)17(23)12-15/h2-12H,1H3,(H,24,26)(H,25,27).
What are the key properties of 1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide?
1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide has a molecular weight of 382.37 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,4-difluorophenyl)-3-N-(2-methoxyphenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).