N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide

C15H11ClF3NO2 — CID 2107466

IUPACN-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H11ClF3NO2/c1-9-2-5-11(16)8-13(9)20-14(21)10-3-6-12(7-4-10)22-15(17,18)19/h2-8H,1H3,(H,20,21)
InChIKeyDAYGIABZVSNHML-UHFFFAOYSA-N
MW329.71 g/mol
LogP4.80
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide

N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide (PubChem CID 2107466) has the molecular formula C15H11ClF3NO2 and a molecular weight of 329.71 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide
PubChem CID2107466
Molecular FormulaC15H11ClF3NO2
Molecular Weight329.71 g/mol
Exact Mass329.04
IUPAC NameN-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C15H11ClF3NO2/c1-9-2-5-11(16)8-13(9)20-14(21)10-3-6-12(7-4-10)22-15(17,18)19/h2-8H,1H3,(H,20,21)
InChIKeyDAYGIABZVSNHML-UHFFFAOYSA-N
XLogP4.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 3488603
1-(5-chloro-2-methylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 19680312
N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78780570
N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide
CID 4008136
N-(5-chloro-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide
CID 17112665
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
methyl 3-amino-4-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 122424116
5-chloro-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]aniline
CID 29052780
N-(5-chloro-2-methylphenyl)-4-(ethylamino)benzamide
CID 62185728
N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333228
N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 8502246

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide (CID 2107466) is N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is DAYGIABZVSNHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF3NO2/c1-9-2-5-11(16)8-13(9)20-14(21)10-3-6-12(7-4-10)22-15(17,18)19/h2-8H,1H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide?
N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 329.71 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 2107466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).