2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide

C16H16FNO — CID 80718612

IUPAC2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2cccc(C)c2F)c1
InChIInChI=1S/C16H16FNO/c1-11-5-3-7-13(9-11)10-18-16(19)14-8-4-6-12(2)15(14)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyZBZORSPLMKJQGK-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.37
Rot. Bonds3

About 2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide

2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 80718612) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
PubChem CID80718612
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2cccc(C)c2F)c1
InChIInChI=1S/C16H16FNO/c1-11-5-3-7-13(9-11)10-18-16(19)14-8-4-6-12(2)15(14)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyZBZORSPLMKJQGK-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80717878
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
N-[(3-carbamothioylphenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481451
N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481324
N-[(4-chlorophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 80718402
2-bromo-5-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80979004
2-methyl-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992155
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
2-fluoro-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 38294563
2-chloro-4-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 99835975
3-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 112575105
N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide
CID 34166968

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide (CID 80718612) is 2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CNC(=O)c2cccc(C)c2F)c1.
What is the InChIKey of 2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is ZBZORSPLMKJQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-11-5-3-7-13(9-11)10-18-16(19)14-8-4-6-12(2)15(14)17/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide?
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 257.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 80718612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).