N'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide

C23H21ClN2O3 — CID 71781852

IUPACN'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1ccccc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21ClN2O3/c1-23(29,18-13-11-17(12-14-18)16-7-3-2-4-8-16)15-25-21(27)22(28)26-20-10-6-5-9-19(20)24/h2-14,29H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyKJLORYAZWPEENE-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.97
Rot. Bonds5

About N'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide

N'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide (PubChem CID 71781852) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide.

Molecular Properties

Compound NameN'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
PubChem CID71781852
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
SMILESCC(O)(CNC(=O)C(=O)Nc1ccccc1Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21ClN2O3/c1-23(29,18-13-11-17(12-14-18)16-7-3-2-4-8-16)15-25-21(27)22(28)26-20-10-6-5-9-19(20)24/h2-14,29H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyKJLORYAZWPEENE-UHFFFAOYSA-N
XLogP3.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.97
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-phenylpropyl)oxamide
CID 111335829
N'-(2-fluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497596
N'-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
CID 90498676
N'-(3-acetamidophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497636
N'-(3,4-difluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 90497618
N'-(3-fluorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 71781848
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-2-hydroxy-2-phenylpropyl]oxamide
CID 95368093
N-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108500305
1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335599
1-[(4-chlorophenyl)methyl]-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 121085776
3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173014
N-[(2R)-2-hydroxy-2-phenylpropyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 95368102

Frequently Asked Questions

What is the IUPAC name of N'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide?
The IUPAC name of N'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide (CID 71781852) is N'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide.
What is the SMILES notation for N'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide?
The canonical SMILES for N'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide is CC(O)(CNC(=O)C(=O)Nc1ccccc1Cl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide?
The InChIKey is KJLORYAZWPEENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-23(29,18-13-11-17(12-14-18)16-7-3-2-4-8-16)15-25-21(27)22(28)26-20-10-6-5-9-19(20)24/h2-14,29H,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide?
N'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide has a molecular weight of 408.89 g/mol, XLogP of 3.97, 5 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-(4-phenylphenyl)propyl]oxamide is sourced from PubChem (CID 71781852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).