4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide

C16H13ClF3NO — CID 143174015

IUPAC4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H13ClF3NO/c1-2-10-3-6-12(7-4-10)21-15(22)11-5-8-14(17)13(9-11)16(18,19)20/h3-9H,2H2,1H3,(H,21,22)
InChIKeyFRWKKKUDMUYMFB-UHFFFAOYSA-N
MW327.73 g/mol
LogP5.17
Rot. Bonds3

About 4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide

4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide (PubChem CID 143174015) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is 4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
PubChem CID143174015
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC Name4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H13ClF3NO/c1-2-10-3-6-12(7-4-10)21-15(22)11-5-8-14(17)13(9-11)16(18,19)20/h3-9H,2H2,1H3,(H,21,22)
InChIKeyFRWKKKUDMUYMFB-UHFFFAOYSA-N
XLogP5.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.73
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)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

2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-ethylphenyl)acetamide
CID 109007711
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
4-chloro-N-(3-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 154268338
3-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methoxybenzamide
CID 44871489
N-[4-chloro-3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703046
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 1221652
4-(azepan-1-ylmethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 43922202
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-difluorobenzamide
CID 2084506
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
CID 17102278
4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010354
[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]phenyl] acetate
CID 1254888
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide
CID 39899500

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide (CID 143174015) is 4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide is CCc1ccc(NC(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide?
The InChIKey is FRWKKKUDMUYMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c1-2-10-3-6-12(7-4-10)21-15(22)11-5-8-14(17)13(9-11)16(18,19)20/h3-9H,2H2,1H3,(H,21,22).
What are the key properties of 4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide?
4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide has a molecular weight of 327.73 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 143174015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).