4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide

C15H13F2NO2 — CID 110779968

IUPAC4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(F)cc2)cc1F
InChIInChI=1S/C15H13F2NO2/c1-20-14-7-2-10(8-13(14)17)9-18-15(19)11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJXKPJOFVPNNJEV-UHFFFAOYSA-N
MW277.27 g/mol
LogP2.90
Rot. Bonds4

About 4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide

4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide (PubChem CID 110779968) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
PubChem CID110779968
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(F)cc2)cc1F
InChIInChI=1S/C15H13F2NO2/c1-20-14-7-2-10(8-13(14)17)9-18-15(19)11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,18,19)
InChIKeyJXKPJOFVPNNJEV-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]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

methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
CID 18113005
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-pyrrol-1-ylbenzamide
CID 110793434
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
N-[(3,4-difluorophenyl)methyl]-3,4-dimethoxybenzamide
CID 110781026
N-[[4-(aminomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 62920214
N-[[4-(bromomethyl)phenyl]methyl]-3-fluoro-4-methoxybenzamide
CID 107233727
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 78865180
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-3,4-dimethoxybenzamide
CID 110782122
2-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 110779966
3-fluoro-4-methoxy-N-[(3-methylphenyl)methyl]benzamide
CID 38293920
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 9269129
N-[(3-fluoro-4-methoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 78865045

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide (CID 110779968) is 4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(F)cc2)cc1F.
What is the InChIKey of 4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
The InChIKey is JXKPJOFVPNNJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-20-14-7-2-10(8-13(14)17)9-18-15(19)11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of 4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide?
4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide has a molecular weight of 277.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 110779968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).