2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide

C15H13F2NO — CID 80718596

IUPAC2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(C)c2F)cc1F
InChIInChI=1S/C15H13F2NO/c1-9-6-7-11(8-13(9)16)18-15(19)12-5-3-4-10(2)14(12)17/h3-8H,1-2H3,(H,18,19)
InChIKeyRIDAYNHGLRLOJU-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.83
Rot. Bonds2

About 2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide

2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide (PubChem CID 80718596) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
PubChem CID80718596
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
SMILESCc1ccc(NC(=O)c2cccc(C)c2F)cc1F
InChIInChI=1S/C15H13F2NO/c1-9-6-7-11(8-13(9)16)18-15(19)12-5-3-4-10(2)14(12)17/h3-8H,1-2H3,(H,18,19)
InChIKeyRIDAYNHGLRLOJU-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-fluoro-N-(3-fluoro-4-methylphenyl)-3-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

N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81481979
N-(3,4-difluorophenyl)-2,3-difluorobenzamide
CID 62648495
N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 82861951
N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
CID 115376734
N-(3-ethylphenyl)-2-fluoro-3-methylbenzamide
CID 80718870
2,5-dibromo-N-(3-fluoro-4-methylphenyl)benzamide
CID 114369991
N-(3-bromo-4-methoxyphenyl)-2-fluoro-3-methylbenzamide
CID 80712346
N-[3-(2-aminoethoxy)phenyl]-2-fluoro-3-methylbenzamide
CID 81481242
5-amino-N-(3-fluoro-4-methylphenyl)-2-methylbenzamide
CID 61291909
2-fluoro-N-[4-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 81477426
2-fluoro-3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 80710690

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide?
The IUPAC name of 2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide (CID 80718596) is 2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide is Cc1ccc(NC(=O)c2cccc(C)c2F)cc1F.
What is the InChIKey of 2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide?
The InChIKey is RIDAYNHGLRLOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c1-9-6-7-11(8-13(9)16)18-15(19)12-5-3-4-10(2)14(12)17/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide?
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide has a molecular weight of 261.27 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide is sourced from PubChem (CID 80718596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).