N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide

C15H13ClFNO — CID 969420

IUPACN-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1
InChIInChI=1S/C15H13ClFNO/c1-9-3-5-12(10(2)7-9)15(19)18-11-4-6-14(17)13(16)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyLUECGSZENIGVCS-UHFFFAOYSA-N
MW277.73 g/mol
LogP4.35
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide

N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide (PubChem CID 969420) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
PubChem CID969420
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1
InChIInChI=1S/C15H13ClFNO/c1-9-3-5-12(10(2)7-9)15(19)18-11-4-6-14(17)13(16)8-11/h3-8H,1-2H3,(H,18,19)
InChIKeyLUECGSZENIGVCS-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

2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
N-(4-chloro-3-hydroxyphenyl)-2,4-dimethylbenzamide
CID 64788271
N-(3,5-dichloro-4-hydroxyphenyl)-2,4-dimethylbenzamide
CID 82884847
N-(3-chloro-4-fluorophenyl)-3-methylpyridine-4-carboxamide
CID 110859368
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146
N-(3-bromo-4-fluorophenyl)-4-chloro-2-methylbenzamide
CID 114027991
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
CID 918547
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
CID 144890602
N-(4-chloro-3-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 60795096

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide (CID 969420) is N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide?
The InChIKey is LUECGSZENIGVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-9-3-5-12(10(2)7-9)15(19)18-11-4-6-14(17)13(16)8-11/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide?
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide 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-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 969420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).