N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide

C16H13ClF3NO — CID 874833

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H13ClF3NO/c17-14-8-7-12(10-13(14)16(18,19)20)21-15(22)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,21,22)
InChIKeyQQIPOUWAVIMCDF-UHFFFAOYSA-N
MW327.73 g/mol
LogP4.93
Rot. Bonds4

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide (PubChem CID 874833) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide
PubChem CID874833
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C16H13ClF3NO/c17-14-8-7-12(10-13(14)16(18,19)20)21-15(22)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,21,22)
InChIKeyQQIPOUWAVIMCDF-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Fasentin
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1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4532427
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4-Chloro-M-benzotoluidide
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N-(3-Chloro-phenyl)-2-cyclohexyl-acetamide
CID 11379743
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
N-(3-Chloro-4-fluorophenyl)benzamide
CID 569594

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide (CID 874833) is N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide?
The InChIKey is QQIPOUWAVIMCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c17-14-8-7-12(10-13(14)16(18,19)20)21-15(22)9-6-11-4-2-1-3-5-11/h1-5,7-8,10H,6,9H2,(H,21,22).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide has a molecular weight of 327.73 g/mol, XLogP of 4.93, 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]-3-phenylpropanamide is sourced from PubChem (CID 874833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).