2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C17H15ClF3NO2 — CID 90534709

IUPAC2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15ClF3NO2/c18-14-7-1-11(2-8-14)9-16(24)22-10-15(23)12-3-5-13(6-4-12)17(19,20)21/h1-8,15,23H,9-10H2,(H,22,24)
InChIKeyPJNIHGQSTPAXNJ-UHFFFAOYSA-N
MW357.76 g/mol
LogP3.75
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide

2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 90534709) has the molecular formula C17H15ClF3NO2 and a molecular weight of 357.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID90534709
Molecular FormulaC17H15ClF3NO2
Molecular Weight357.76 g/mol
Exact Mass357.07
IUPAC Name2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15ClF3NO2/c18-14-7-1-11(2-8-14)9-16(24)22-10-15(23)12-3-5-13(6-4-12)17(19,20)21/h1-8,15,23H,9-10H2,(H,22,24)
InChIKeyPJNIHGQSTPAXNJ-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.76
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 129032345
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594302
N-(2-chloropropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 113271516
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 167840355
N-(2-bromopropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 114308761
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 55803102
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-(2-methylpropyl)oxamide
CID 90534872
1-benzyl-3-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 56765522
2-(4-chlorophenyl)-N-[2-[(2-hydroxy-2-phenylethyl)amino]propyl]acetamide
CID 54203052
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-2-phenoxyacetamide
CID 90534682
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 34972442

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 90534709) is 2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is O=C(Cc1ccc(Cl)cc1)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is PJNIHGQSTPAXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO2/c18-14-7-1-11(2-8-14)9-16(24)22-10-15(23)12-3-5-13(6-4-12)17(19,20)21/h1-8,15,23H,9-10H2,(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 357.76 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 90534709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).