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

C16H13ClF3NO2 — CID 167840355

IUPAC3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CC(O)c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13ClF3NO2/c17-12-5-1-10(2-6-12)14(22)9-15(23)21-13-7-3-11(4-8-13)16(18,19)20/h1-8,14,22H,9H2,(H,21,23)
InChIKeyWTMXYKDBRXRYQF-UHFFFAOYSA-N
MW343.73 g/mol
LogP4.42
Rot. Bonds4

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

3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 167840355) has the molecular formula C16H13ClF3NO2 and a molecular weight of 343.73 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID167840355
Molecular FormulaC16H13ClF3NO2
Molecular Weight343.73 g/mol
Exact Mass343.06
IUPAC Name3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CC(O)c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13ClF3NO2/c17-12-5-1-10(2-6-12)14(22)9-15(23)21-13-7-3-11(4-8-13)16(18,19)20/h1-8,14,22H,9H2,(H,21,23)
InChIKeyWTMXYKDBRXRYQF-UHFFFAOYSA-N
XLogP4.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.73
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide
CID 110026063
2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 90534709
2-(4-chlorophenyl)-3-methyl-N-[4-(trifluoromethyl)phenyl]butanamide
CID 42909302
(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 11593826
N-[2-(4-chloroanilino)-2-oxoethoxy]-4-(trifluoromethyl)benzamide
CID 46224736
(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 101378731
(3S)-3-acetamido-3-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26700777
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113201563
1-(4-propan-2-ylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 98000604
1-N'-(4-chlorophenyl)-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982590
2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345
(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide
CID 97057298

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide (CID 167840355) is 3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide is O=C(CC(O)c1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is WTMXYKDBRXRYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3NO2/c17-12-5-1-10(2-6-12)14(22)9-15(23)21-13-7-3-11(4-8-13)16(18,19)20/h1-8,14,22H,9H2,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide?
3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 343.73 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 167840355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).