2-(4-chlorophenyl)-3-hydroxypropanamide

C9H10ClNO2 — CID 123500993

IUPAC2-(4-chlorophenyl)-3-hydroxypropanamide
SMILESNC(=O)C(CO)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)8(5-12)9(11)13/h1-4,8,12H,5H2,(H2,11,13)
InChIKeyKETYCDCYLZMZLB-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.90
Rot. Bonds3

About 2-(4-chlorophenyl)-3-hydroxypropanamide

2-(4-chlorophenyl)-3-hydroxypropanamide (PubChem CID 123500993) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-hydroxypropanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-hydroxypropanamide
PubChem CID123500993
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name2-(4-chlorophenyl)-3-hydroxypropanamide
SMILESNC(=O)C(CO)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)8(5-12)9(11)13/h1-4,8,12H,5H2,(H2,11,13)
InChIKeyKETYCDCYLZMZLB-UHFFFAOYSA-N
XLogP0.90
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-2-phenylpropanamide
CID 228404
(3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide
CID 45105064
(3R)-3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide
CID 45105065
Acetamide, 2-(p-chlorophenyl)-2-hydroxy-
CID 29140
2-(4-Chlorophenyl)-3-hydroxypropanoic acid
CID 12606310
3-Amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
(3S)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide
CID 45105066
3-(3-Chlorophenyl)-3-hydroxypropanamide
CID 662123
3-(4-chlorophenyl)-N,3-dihydroxypropanamide
CID 72707667
(3S)-3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide
CID 45103524
3-(2,4-dichlorophenyl)-N,5-dihydroxypentanamide
CID 75091276
Propanamide, 3-(4-chlorophenyl)-3-hydroxy-
CID 548076

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-hydroxypropanamide?
The IUPAC name of 2-(4-chlorophenyl)-3-hydroxypropanamide (CID 123500993) is 2-(4-chlorophenyl)-3-hydroxypropanamide.
What is the SMILES notation for 2-(4-chlorophenyl)-3-hydroxypropanamide?
The canonical SMILES for 2-(4-chlorophenyl)-3-hydroxypropanamide is NC(=O)C(CO)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-hydroxypropanamide?
The InChIKey is KETYCDCYLZMZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c10-7-3-1-6(2-4-7)8(5-12)9(11)13/h1-4,8,12H,5H2,(H2,11,13).
What are the key properties of 2-(4-chlorophenyl)-3-hydroxypropanamide?
2-(4-chlorophenyl)-3-hydroxypropanamide has a molecular weight of 199.64 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-hydroxypropanamide is sourced from PubChem (CID 123500993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).