N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide

C15H11ClF3NO — CID 836769

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C15H11ClF3NO/c1-9-2-4-10(5-3-9)14(21)20-13-7-6-11(16)8-12(13)15(17,18)19/h2-8H,1H3,(H,20,21)
InChIKeyGNZYSDRHNMATEF-UHFFFAOYSA-N
MW313.71 g/mol
LogP4.92
Rot. Bonds2

About N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide (PubChem CID 836769) has the molecular formula C15H11ClF3NO and a molecular weight of 313.71 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
PubChem CID836769
Molecular FormulaC15H11ClF3NO
Molecular Weight313.71 g/mol
Exact Mass313.05
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1
InChIInChI=1S/C15H11ClF3NO/c1-9-2-4-10(5-3-9)14(21)20-13-7-6-11(16)8-12(13)15(17,18)19/h2-8H,1H3,(H,20,21)
InChIKeyGNZYSDRHNMATEF-UHFFFAOYSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methyl-4-nitrobenzamide
CID 4512622
4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 4512796
5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
CID 167603991
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 2296321
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-methylpyridazine-3-carboxamide
CID 110705369
4-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 1336327
5-chloro-2-[(4-methylbenzoyl)amino]benzamide
CID 46934109
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
N-[4-chloro-2-(trifluoromethyl)phenyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512311
N-[4-chloro-2-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-3-carboxamide
CID 17172977
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110692014

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide (CID 836769) is N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide?
The InChIKey is GNZYSDRHNMATEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO/c1-9-2-4-10(5-3-9)14(21)20-13-7-6-11(16)8-12(13)15(17,18)19/h2-8H,1H3,(H,20,21).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide has a molecular weight of 313.71 g/mol, XLogP of 4.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 836769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).