N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide

C15H13ClFNO — CID 918547

IUPACN-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H13ClFNO/c1-9-5-10(2)7-11(6-9)15(19)18-12-3-4-14(17)13(16)8-12/h3-8H,1-2H3,(H,18,19)
InChIKeyNWSWIBSHKJQALL-UHFFFAOYSA-N
MW277.73 g/mol
LogP4.35
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide

N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide (PubChem CID 918547) has the molecular formula C15H13ClFNO and a molecular weight of 277.73 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
PubChem CID918547
Molecular FormulaC15H13ClFNO
Molecular Weight277.73 g/mol
Exact Mass277.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C15H13ClFNO/c1-9-5-10(2)7-11(6-9)15(19)18-12-3-4-14(17)13(16)8-12/h3-8H,1-2H3,(H,18,19)
InChIKeyNWSWIBSHKJQALL-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-[(3-chloro-4-fluorophenyl)carbamothioyl]-3,5-dimethylbenzamide
CID 918687
3-N-(3-chloro-4-fluorophenyl)-5-N-(3,5-dimethylphenyl)pyridine-3,5-dicarboxamide
CID 109108356
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide
CID 104779493
N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethylanilino)pyrimidine-5-carboxamide
CID 109266931
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methylbenzamide;formaldehyde
CID 144890602
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
2-chloro-N-(3-chloro-4-fluorophenyl)-4-methylbenzamide
CID 885992
2,4-dichloro-N-[4-[(3,5-dimethylbenzoyl)amino]phenyl]benzamide
CID 2206480
N-(3-chloro-4-fluorophenyl)-4-methylfuran-2-carboxamide
CID 110859335
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide (CID 918547) is N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)Nc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide?
The InChIKey is NWSWIBSHKJQALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO/c1-9-5-10(2)7-11(6-9)15(19)18-12-3-4-14(17)13(16)8-12/h3-8H,1-2H3,(H,18,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3,5-dimethylbenzamide?
N-(3-chloro-4-fluorophenyl)-3,5-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)-3,5-dimethylbenzamide is sourced from PubChem (CID 918547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).