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

C16H13ClF3NO — CID 17102278

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C16H13ClF3NO/c1-2-10-3-5-11(6-4-10)15(22)21-14-8-7-12(9-13(14)17)16(18,19)20/h3-9H,2H2,1H3,(H,21,22)
InChIKeyXUKMLACHYCBMLY-UHFFFAOYSA-N
MW327.73 g/mol
LogP5.17
Rot. Bonds3

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

N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide (PubChem CID 17102278) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
PubChem CID17102278
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C16H13ClF3NO/c1-2-10-3-5-11(6-4-10)15(22)21-14-8-7-12(9-13(14)17)16(18,19)20/h3-9H,2H2,1H3,(H,21,22)
InChIKeyXUKMLACHYCBMLY-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

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Related Compounds

N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide
CID 17102264
N-(4-carbamothioyl-2-chlorophenyl)-4-ethylbenzamide
CID 107808338
ethyl 3-chloro-4-[[3-(trifluoromethyl)benzoyl]amino]benzoate
CID 56632233
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673432
N-(4-amino-2,5-dichlorophenyl)-4-ethylbenzamide
CID 50881110
methyl 4-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 54787072
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
CID 166140537
N-(2,4-difluorophenyl)-4-ethylbenzamide
CID 2478391
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 43707397
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylacetamide
CID 17102273
N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 7925712
4-chloro-N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 143174015

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide (CID 17102278) is N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide?
The InChIKey is XUKMLACHYCBMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c1-2-10-3-5-11(6-4-10)15(22)21-14-8-7-12(9-13(14)17)16(18,19)20/h3-9H,2H2,1H3,(H,21,22).
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide?
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide 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 N-[2-chloro-4-(trifluoromethyl)phenyl]-4-ethylbenzamide is sourced from PubChem (CID 17102278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).