3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide

C15H13ClFNO — CID 86048120

IUPAC3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2c(F)ccc(C)c2Cl)c1
InChIInChI=1S/C15H13ClFNO/c1-9-6-7-12(17)13(14(9)16)10-4-3-5-11(8-10)15(19)18-2/h3-8H,1-2H3,(H,18,19)
InChIKeyGRLIRKASXYLEFD-UHFFFAOYSA-N
MW277.73 g/mol
LogP3.81
Rot. Bonds2

About 3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide

3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide (PubChem CID 86048120) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is 3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide
PubChem CID86048120
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC Name3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2c(F)ccc(C)c2Cl)c1
InChIInChI=1S/C15H13ClFNO/c1-9-6-7-12(17)13(14(9)16)10-4-3-5-11(8-10)15(19)18-2/h3-8H,1-2H3,(H,18,19)
InChIKeyGRLIRKASXYLEFD-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chloro-2,6-dimethylphenyl)-N-methylbenzamide
CID 69438870
ethane;2-methyl-5-[3-(methylcarbamoyl)phenyl]benzamide
CID 143405821
3-(2,6-difluoro-3-methylphenyl)benzoic acid
CID 82822076
2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227063
3-[4-(hydroxymethyl)phenyl]-N-methylbenzamide
CID 172740220
3-[2-(3,4-difluorophenyl)pyrazolo[1,5-a]pyridin-5-yl]-N-methylbenzamide
CID 67255620
methyl 3-(4-fluoro-3-methylphenyl)benzoate
CID 75488193
3-[(2-chloro-6-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 43432293
3-[(4-chloro-2-methylphenyl)methylamino]-N-methylbenzamide
CID 104854341
3-chlorobenzoyl chloride;N,3-dimethylbenzamide
CID 159987472
3-(4-formamidophenyl)-N-methylbenzamide
CID 168653692
[1-[4-fluoro-3-[3-(methylcarbamoyl)phenyl]phenyl]cyclopentyl]carbamic acid
CID 126715217

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide?
The IUPAC name of 3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide (CID 86048120) is 3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide.
What is the SMILES notation for 3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide?
The canonical SMILES for 3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide is CNC(=O)c1cccc(-c2c(F)ccc(C)c2Cl)c1.
What is the InChIKey of 3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide?
The InChIKey is GRLIRKASXYLEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-9-6-7-12(17)13(14(9)16)10-4-3-5-11(8-10)15(19)18-2/h3-8H,1-2H3,(H,18,19).
What are the key properties of 3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide?
3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide has a molecular weight of 277.73 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluoro-3-methylphenyl)-N-methylbenzamide is sourced from PubChem (CID 86048120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).