N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide

C12H15ClN2O3 — CID 45000720

IUPACN-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
SMILESCC(C)(CO)NC(=O)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-12(2,7-16)15-11(18)10(17)14-9-6-4-3-5-8(9)13/h3-6,16H,7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyLREWCUGLTHAYER-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.17
Rot. Bonds3

About N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide

N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide (PubChem CID 45000720) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
PubChem CID45000720
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC NameN-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
SMILESCC(C)(CO)NC(=O)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-12(2,7-16)15-11(18)10(17)14-9-6-4-3-5-8(9)13/h3-6,16H,7H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyLREWCUGLTHAYER-UHFFFAOYSA-N
XLogP1.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.17
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'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108500305
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CID 108530240
N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide
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N'-(2-chlorophenyl)-N-cyclohexyloxamide
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N'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
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N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108965988
N-(2-chlorophenyl)-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287271
N'-(2-chlorophenyl)-N-(2-hydroxy-2-methyl-4-phenylbutyl)oxamide
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N-(2-chlorophenyl)-2-methyl-2-(methylamino)propanamide
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1-(1-hydroxy-2-methylpropan-2-yl)-3-(2-sulfanylphenyl)urea
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N-[(2-chlorophenyl)carbamothioyl]-2,2-dimethylpropanamide
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CID 2174333

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The IUPAC name of N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide (CID 45000720) is N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide is CC(C)(CO)NC(=O)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
The InChIKey is LREWCUGLTHAYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-12(2,7-16)15-11(18)10(17)14-9-6-4-3-5-8(9)13/h3-6,16H,7H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide?
N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide has a molecular weight of 270.72 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide is sourced from PubChem (CID 45000720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).