N-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)benzamide

C16H13ClF3NO — CID 879871

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO/c17-12-7-5-11(6-8-12)9-10-21-15(22)13-3-1-2-4-14(13)16(18,19)20/h1-8H,9-10H2,(H,21,22)
InChIKeyOCHMMXKYISRONX-UHFFFAOYSA-N
MW327.73 g/mol
LogP4.33
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)benzamide

N-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)benzamide (PubChem CID 879871) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)benzamide
PubChem CID879871
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO/c17-12-7-5-11(6-8-12)9-10-21-15(22)13-3-1-2-4-14(13)16(18,19)20/h1-8H,9-10H2,(H,21,22)
InChIKeyOCHMMXKYISRONX-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-2-chlorobenzamide
CID 347041
2-Chloro-N-phenethyl-benzamide
CID 692233
N-benzyl-4-chlorobenzamide
CID 346668
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
4-chloro-N-(2-oxo-2-phenylethyl)benzamide
CID 832101
4-Chloro-N-phenethylbenzamide
CID 306479
N-Benzyl-2-chloro-benzamide
CID 347073
Benzamide, 4-chloro-N-methyl-
CID 101339
N-(1-(4-chlorophenyl)-3-(dimethylamino)propyl)-4-phenylbenzamide
CID 11663047
Benzamide derivative 11
CID 41306362
N-(2-amino-2-oxoethyl)-4-chlorobenzamide
CID 350021
4'-Chloro-3-fluoro-biphenyl-4-carboxylic acid [2-(4-pyrrolidin-1-ylmethyl-phenyl)-ethyl]-amide
CID 57890345

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)benzamide (CID 879871) is N-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)benzamide is O=C(NCCc1ccc(Cl)cc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)benzamide?
The InChIKey is OCHMMXKYISRONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c17-12-7-5-11(6-8-12)9-10-21-15(22)13-3-1-2-4-14(13)16(18,19)20/h1-8H,9-10H2,(H,21,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)benzamide?
N-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)benzamide has a molecular weight of 327.73 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 879871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).