N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide

C17H15ClF3NO — CID 2923882

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H15ClF3NO/c1-2-13(11-6-4-3-5-7-11)16(23)22-12-8-9-15(18)14(10-12)17(19,20)21/h3-10,13H,2H2,1H3,(H,22,23)
InChIKeyUHCWTWCCTSCLBT-UHFFFAOYSA-N
MW341.76 g/mol
LogP5.49
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide (PubChem CID 2923882) has the molecular formula C17H15ClF3NO and a molecular weight of 341.76 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide
PubChem CID2923882
Molecular FormulaC17H15ClF3NO
Molecular Weight341.76 g/mol
Exact Mass341.08
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H15ClF3NO/c1-2-13(11-6-4-3-5-7-11)16(23)22-12-8-9-15(18)14(10-12)17(19,20)21/h3-10,13H,2H2,1H3,(H,22,23)
InChIKeyUHCWTWCCTSCLBT-UHFFFAOYSA-N
XLogP5.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.76
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzamide, N-(4-chlorophenyl)-
CID 96646
Fasentin
CID 879520
3'-Trifluoromethyl-2-phenylacetanilide
CID 137261
8-Isoquinolinecarboxamide,N-[4-chloro-3-(trifluoromethyl)phenyl]-1,2,3,4,4a,7,8,8a-octahydro-1-oxo-2-(phenylmethyl)-,(4aR,8S,,8aR)-
CID 45256309
2-Chloro-N-(4-chlorophenyl)benzamide
CID 221831
2-chloro-N-[2-(trifluoromethyl)phenyl]benzamide
CID 285312
2-Chloro-3',4'-benzoxylidide
CID 295081
4'-Chloro-M-toluanilide
CID 763862
N-(4-chlorophenyl)-3-(trifluoromethyl)benzamide
CID 850559
N-(3-chlorophenyl)-2-phenylacetamide
CID 307344
2,2-dichloro-N-(2-chlorophenyl)-3-phenylcyclopropanecarboxamide
CID 2832305
N-(4-chloro-2-fluorophenyl)-2-phenylcyclopropanecarboxamide
CID 2933451

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide (CID 2923882) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide is CCC(C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide?
The InChIKey is UHCWTWCCTSCLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO/c1-2-13(11-6-4-3-5-7-11)16(23)22-12-8-9-15(18)14(10-12)17(19,20)21/h3-10,13H,2H2,1H3,(H,22,23).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide has a molecular weight of 341.76 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylbutanamide is sourced from PubChem (CID 2923882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).