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

C15H13F2NO — CID 55163065

IUPAC4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(F)c(C)c2)c(F)c1
InChIInChI=1S/C15H13F2NO/c1-9-3-6-14(13(17)7-9)18-15(19)11-4-5-12(16)10(2)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyDNQCIRGFMKCJMI-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.83
Rot. Bonds2

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

4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide (PubChem CID 55163065) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is 4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
PubChem CID55163065
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide
SMILESCc1ccc(NC(=O)c2ccc(F)c(C)c2)c(F)c1
InChIInChI=1S/C15H13F2NO/c1-9-3-6-14(13(17)7-9)18-15(19)11-4-5-12(16)10(2)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyDNQCIRGFMKCJMI-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

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Related Compounds

4-fluoro-N-(4-iodo-2-methylphenyl)-3-methylbenzamide
CID 63213134
methyl 4-[(2-fluoro-4-methylphenyl)carbamoyl]benzoate
CID 26522804
3-chloro-N-(2-fluoro-4-methylphenyl)-4-hydroxybenzamide
CID 28881729
3-amino-4-bromo-N-(2-fluoro-4-methylphenyl)benzamide
CID 61093746
3-bromo-4-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 103841501
4-fluoro-3-[(4-fluoro-3-methylbenzoyl)amino]benzoic acid
CID 63209943
N-(2-fluoro-4-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17396941
5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414745
N-(2-amino-4,5-dimethylphenyl)-4-fluoro-3-methylbenzamide
CID 63209761
N-(2-fluoro-5-methylphenyl)-4-methylbenzamide
CID 7718843
4-[(2,5-dimethylbenzoyl)amino]-3-fluorobenzoic acid
CID 63189869
N-(2-fluoro-5-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 28881843

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide?
The IUPAC name of 4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide (CID 55163065) is 4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide?
The canonical SMILES for 4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide is Cc1ccc(NC(=O)c2ccc(F)c(C)c2)c(F)c1.
What is the InChIKey of 4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide?
The InChIKey is DNQCIRGFMKCJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c1-9-3-6-14(13(17)7-9)18-15(19)11-4-5-12(16)10(2)8-11/h3-8H,1-2H3,(H,18,19).
What are the key properties of 4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide?
4-fluoro-N-(2-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 4-fluoro-N-(2-fluoro-4-methylphenyl)-3-methylbenzamide is sourced from PubChem (CID 55163065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).