N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide

C17H17ClN2O3 — CID 111335829

IUPACN'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H17ClN2O3/c1-17(23,12-7-3-2-4-8-12)11-19-15(21)16(22)20-14-10-6-5-9-13(14)18/h2-10,23H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyQHEQJORSBPFNPC-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.30
Rot. Bonds4

About N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide

N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide (PubChem CID 111335829) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide
PubChem CID111335829
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C17H17ClN2O3/c1-17(23,12-7-3-2-4-8-12)11-19-15(21)16(22)20-14-10-6-5-9-13(14)18/h2-10,23H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyQHEQJORSBPFNPC-UHFFFAOYSA-N
XLogP2.30
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 71781852
N'-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498676
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
CID 95368093
1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335599
N'-(2-fluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497596
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 95368102
N-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108500305
3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173014
N-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide
CID 121112034
N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 45000720
N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-N'-(3-chloro-2-methylphenyl)oxamide
CID 99980679

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide (CID 111335829) is N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide is CC(O)(CNC(=O)C(=O)Nc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide?
The InChIKey is QHEQJORSBPFNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-17(23,12-7-3-2-4-8-12)11-19-15(21)16(22)20-14-10-6-5-9-13(14)18/h2-10,23H,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide?
N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide has a molecular weight of 332.79 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide is sourced from PubChem (CID 111335829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).