2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide

C17H18ClNO2 — CID 110663977

IUPAC2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide
SMILESCC(O)(CNC(=O)Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-17(21,14-5-3-2-4-6-14)12-19-16(20)11-13-7-9-15(18)10-8-13/h2-10,21H,11-12H2,1H3,(H,19,20)
InChIKeyJKZVJXIOIDNQDD-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.91
Rot. Bonds5

About 2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide

2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide (PubChem CID 110663977) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide
PubChem CID110663977
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide
SMILESCC(O)(CNC(=O)Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-17(21,14-5-3-2-4-6-14)12-19-16(20)11-13-7-9-15(18)10-8-13/h2-10,21H,11-12H2,1H3,(H,19,20)
InChIKeyJKZVJXIOIDNQDD-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110146
2-(4-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-4-phenylbutyl]acetamide
CID 52906943
N-(2-hydroxy-2-phenylpropyl)-2-naphthalen-2-ylacetamide
CID 111335174
N-[(2S)-2-hydroxy-2-phenylpropyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 95368026
4-[[2-(4-chlorophenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66001714
2-(4-chlorophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66168619
3-hydroxy-N-(2-hydroxy-2-phenylpropyl)-3-phenylbutanamide
CID 110025392
N-[(2S)-2-(3-chlorophenyl)-2-hydroxypropyl]-2-(4-nitrophenyl)acetamide
CID 129398707
2,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 111335243
1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 121085776
2-(4-chlorophenyl)-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]acetamide
CID 111335471
N-(2-hydroxy-2-phenylpropyl)-2-thiophen-2-ylacetamide
CID 110663974

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide (CID 110663977) is 2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide is CC(O)(CNC(=O)Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide?
The InChIKey is JKZVJXIOIDNQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-17(21,14-5-3-2-4-6-14)12-19-16(20)11-13-7-9-15(18)10-8-13/h2-10,21H,11-12H2,1H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide?
2-(4-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)acetamide has a molecular weight of 303.79 g/mol, XLogP of 2.91, 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-phenylpropyl)acetamide is sourced from PubChem (CID 110663977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).