2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide

C16H15F2NO — CID 80718972

IUPAC2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2ccc(F)cc2)c1F
InChIInChI=1S/C16H15F2NO/c1-11-4-3-5-14(15(11)18)16(20)19(2)10-12-6-8-13(17)9-7-12/h3-9H,10H2,1-2H3
InChIKeyWQCMKOLVEDBXLW-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.55
Rot. Bonds3

About 2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide

2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide (PubChem CID 80718972) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
PubChem CID80718972
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
SMILESCc1cccc(C(=O)N(C)Cc2ccc(F)cc2)c1F
InChIInChI=1S/C16H15F2NO/c1-11-4-3-5-14(15(11)18)16(20)19(2)10-12-6-8-13(17)9-7-12/h3-9H,10H2,1-2H3
InChIKeyWQCMKOLVEDBXLW-UHFFFAOYSA-N
XLogP3.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide 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-(aminomethyl)phenyl]methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81479696
N-[(3,4-dichlorophenyl)methyl]-2-fluoro-N,3-dimethylbenzamide
CID 81480668
5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103295957
2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 112792625
N-[(4-fluorophenyl)methyl]-N-methyl-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 134057227
N-[(4-fluorophenyl)methyl]-N-methyl-2-(methylamino)benzamide
CID 60670598
N-[(4-fluorophenyl)methyl]-N-methyl-2-(trifluoromethyl)benzamide
CID 112792620
N-(2-amino-2-oxoethyl)-2-fluoro-N,3-dimethylbenzamide
CID 80718993
2-amino-N,3-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 28798437
N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide
CID 43908097
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide?
The IUPAC name of 2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide (CID 80718972) is 2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide?
The canonical SMILES for 2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide is Cc1cccc(C(=O)N(C)Cc2ccc(F)cc2)c1F.
What is the InChIKey of 2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide?
The InChIKey is WQCMKOLVEDBXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-11-4-3-5-14(15(11)18)16(20)19(2)10-12-6-8-13(17)9-7-12/h3-9H,10H2,1-2H3.
What are the key properties of 2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide?
2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide has a molecular weight of 275.30 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide is sourced from PubChem (CID 80718972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).