N-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide

C16H23ClN2O2 — CID 108500305

IUPACN-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-15(2,3)10-16(4,5)19-14(21)13(20)18-12-9-7-6-8-11(12)17/h6-9H,10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyQOIQAJNLNYBNBF-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.61
Rot. Bonds3

About N-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide

N-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide (PubChem CID 108500305) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
PubChem CID108500305
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC NameN-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C16H23ClN2O2/c1-15(2,3)10-16(4,5)19-14(21)13(20)18-12-9-7-6-8-11(12)17/h6-9H,10H2,1-5H3,(H,18,20)(H,19,21)
InChIKeyQOIQAJNLNYBNBF-UHFFFAOYSA-N
XLogP3.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 45000720
N'-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)oxamide
CID 111335829
N-(2-hydroxy-4-methylphenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526288
butyl 2-[[2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)acetyl]amino]benzoate
CID 108514607
N'-(2-chlorophenyl)-N-[2-hydroxy-2-(4-phenylphenyl)propyl]oxamide
CID 71781852
3-(2-chlorophenoxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 108789472
N-(2-chlorophenyl)-N'-(2,6-difluorophenyl)oxamide
CID 108500285
N'-(2-chlorophenyl)-N-cyclohexyloxamide
CID 7541659
N-(1H-1,2,4-triazol-5-yl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108526242
N-(2-tert-butylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108530240
N-tert-butyl-N'-(2-chlorophenyl)-2,2-dimethylpropanediamide
CID 108965988
2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 58159202

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The IUPAC name of N-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide (CID 108500305) is N-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide is CC(C)(C)CC(C)(C)NC(=O)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
The InChIKey is QOIQAJNLNYBNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-15(2,3)10-16(4,5)19-14(21)13(20)18-12-9-7-6-8-11(12)17/h6-9H,10H2,1-5H3,(H,18,20)(H,19,21).
What are the key properties of N-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide?
N-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide has a molecular weight of 310.82 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide is sourced from PubChem (CID 108500305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).