2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide

C16H15F2NO2 — CID 86978699

IUPAC2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C16H15F2NO2/c1-19(10-11-3-6-13(21-2)7-4-11)16(20)14-9-12(17)5-8-15(14)18/h3-9H,10H2,1-2H3
InChIKeyZTUHTCWSIWOEQL-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.25
Rot. Bonds4

About 2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide

2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide (PubChem CID 86978699) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
PubChem CID86978699
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
SMILESCOc1ccc(CN(C)C(=O)c2cc(F)ccc2F)cc1
InChIInChI=1S/C16H15F2NO2/c1-19(10-11-3-6-13(21-2)7-4-11)16(20)14-9-12(17)5-8-15(14)18/h3-9H,10H2,1-2H3
InChIKeyZTUHTCWSIWOEQL-UHFFFAOYSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide 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

2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methyl-5-sulfanylbenzamide
CID 107024323
2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 60631214
5-(ethylsulfamoyl)-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55913537
2-fluoro-N-[(4-fluorophenyl)methyl]-N-methyl-5-sulfanylbenzamide
CID 107024225
2-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 55555108
2-amino-4-chloro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 61112358
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 94010767
5-amino-N-[(4-ethylphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 43587026
N-[(4-methoxyphenyl)methyl]-N,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 103696208
2-bromo-5-fluoro-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 60667390
methyl 4-[[(5-bromo-2-fluorobenzoyl)-methylamino]methyl]benzoate
CID 37412583
N-(2,5-difluorophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8778357

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The IUPAC name of 2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide (CID 86978699) is 2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide is COc1ccc(CN(C)C(=O)c2cc(F)ccc2F)cc1.
What is the InChIKey of 2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
The InChIKey is ZTUHTCWSIWOEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-19(10-11-3-6-13(21-2)7-4-11)16(20)14-9-12(17)5-8-15(14)18/h3-9H,10H2,1-2H3.
What are the key properties of 2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide?
2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide has a molecular weight of 291.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 86978699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).