3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide

C16H13ClF3NO — CID 19220927

IUPAC3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO/c17-12-8-5-11(6-9-12)7-10-15(22)21-14-4-2-1-3-13(14)16(18,19)20/h1-6,8-9H,7,10H2,(H,21,22)
InChIKeyTWWDOXHLMRTNEE-UHFFFAOYSA-N
MW327.73 g/mol
LogP4.93
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide

3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 19220927) has the molecular formula C16H13ClF3NO and a molecular weight of 327.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID19220927
Molecular FormulaC16H13ClF3NO
Molecular Weight327.73 g/mol
Exact Mass327.06
IUPAC Name3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C16H13ClF3NO/c17-12-8-5-11(6-9-12)7-10-15(22)21-14-4-2-1-3-13(14)16(18,19)20/h1-6,8-9H,7,10H2,(H,21,22)
InChIKeyTWWDOXHLMRTNEE-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

3-[(4-chlorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109021889
3-(4-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 108789991
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-phenylbutanamide
CID 842100
3-(2-chloroanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109037892
1-(4-chlorophenyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 727784
3-(5-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 109038453
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2222415
1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 113198387
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53036596
trifluoro-[3-oxo-3-[2-(trifluoromethyl)anilino]propyl]boranuide
CID 91759481
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
2-(4-phenylphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26087747

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 19220927) is 3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is TWWDOXHLMRTNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO/c17-12-8-5-11(6-9-12)7-10-15(22)21-14-4-2-1-3-13(14)16(18,19)20/h1-6,8-9H,7,10H2,(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide?
3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide 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 3-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 19220927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).