1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide

C22H18ClFN2O2 — CID 109054581

IUPAC1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C22H18ClFN2O2/c23-19-10-8-15(9-11-19)13-25-21(27)16-5-3-6-17(12-16)22(28)26-14-18-4-1-2-7-20(18)24/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChIKeyCXPLTQUIHXZEMA-UHFFFAOYSA-N
MW396.85 g/mol
LogP4.34
Rot. Bonds6

About 1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide

1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109054581) has the molecular formula C22H18ClFN2O2 and a molecular weight of 396.85 g/mol. Its IUPAC name is 1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109054581
Molecular FormulaC22H18ClFN2O2
Molecular Weight396.85 g/mol
Exact Mass396.10
IUPAC Name1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C22H18ClFN2O2/c23-19-10-8-15(9-11-19)13-25-21(27)16-5-3-6-17(12-16)22(28)26-14-18-4-1-2-7-20(18)24/h1-12H,13-14H2,(H,25,27)(H,26,28)
InChIKeyCXPLTQUIHXZEMA-UHFFFAOYSA-N
XLogP4.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]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

3-N-[(2-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054654
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
1-N-benzyl-3-N-(4-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054145
3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054619
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052680
1-N-[(2-fluorophenyl)methyl]-3-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053947
5-N-[(2-fluorophenyl)methyl]-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105507
3-N-benzyl-1-N-[(2-fluorophenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 109054502
N-[(4-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethylamino]pyridine-4-carboxamide
CID 109170868
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]benzoic acid
CID 62532100

Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide (CID 109054581) is 1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide is O=C(NCc1ccc(Cl)cc1)c1cccc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is CXPLTQUIHXZEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2/c23-19-10-8-15(9-11-19)13-25-21(27)16-5-3-6-17(12-16)22(28)26-14-18-4-1-2-7-20(18)24/h1-12H,13-14H2,(H,25,27)(H,26,28).
What are the key properties of 1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide?
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 396.85 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).