N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide

C15H13ClFNO — CID 113219145

IUPACN-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C15H13ClFNO/c1-9-4-3-5-13(16)14(9)18-15(19)12-7-6-11(17)8-10(12)2/h3-8H,1-2H3,(H,18,19)
InChIKeyLNTONRKQICFEQV-UHFFFAOYSA-N
MW277.73 g/mol
LogP4.35
Rot. Bonds2

About N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide

N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide (PubChem CID 113219145) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide
PubChem CID113219145
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC NameN-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide
SMILESCc1cc(F)ccc1C(=O)Nc1c(C)cccc1Cl
InChIInChI=1S/C15H13ClFNO/c1-9-4-3-5-13(16)14(9)18-15(19)12-7-6-11(17)8-10(12)2/h3-8H,1-2H3,(H,18,19)
InChIKeyLNTONRKQICFEQV-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.73
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chloro-6-methylphenyl)-4-fluoro-2-hydroxybenzamide
CID 103889268
N-(2-chloro-6-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 103865613
N-(2-ethyl-6-methylphenyl)-4-fluoro-2-methylbenzamide
CID 115573702
5-chloro-N-(2-chloro-6-methylphenyl)-2-fluorobenzamide
CID 66254946
N-(2-amino-6-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43330061
N-(2-bromo-6-chloro-4-fluorophenyl)-4-fluoro-2-methylbenzamide
CID 107470648
2-amino-N-(2-chloro-6-methylphenyl)-4,5-difluorobenzamide
CID 66251998
N-(2-chloro-6-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 66255531
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
2-amino-N-(2-chloro-6-methylphenyl)-5-(3-fluorophenyl)pyridine-3-carboxamide
CID 155552021
N-(2-chloro-6-methylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107031792
2-bromo-N-(2,6-dichlorophenyl)-5-fluorobenzamide
CID 60667247

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide (CID 113219145) is N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide is Cc1cc(F)ccc1C(=O)Nc1c(C)cccc1Cl.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide?
The InChIKey is LNTONRKQICFEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-9-4-3-5-13(16)14(9)18-15(19)12-7-6-11(17)8-10(12)2/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide?
N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide has a molecular weight of 277.73 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-4-fluoro-2-methylbenzamide is sourced from PubChem (CID 113219145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).