N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide

C12H14ClN3O2 — CID 3593007

IUPACN-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide
SMILESCC(C)=NNC(=O)C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C12H14ClN3O2/c1-7(2)15-16-12(18)11(17)14-10-5-4-9(13)6-8(10)3/h4-6H,1-3H3,(H,14,17)(H,16,18)
InChIKeyZBEWAFKUGRPGLQ-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.10
Rot. Bonds2

About N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide

N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide (PubChem CID 3593007) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide
PubChem CID3593007
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC NameN-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide
SMILESCC(C)=NNC(=O)C(=O)Nc1ccc(Cl)cc1C
InChIInChI=1S/C12H14ClN3O2/c1-7(2)15-16-12(18)11(17)14-10-5-4-9(13)6-8(10)3/h4-6H,1-3H3,(H,14,17)(H,16,18)
InChIKeyZBEWAFKUGRPGLQ-UHFFFAOYSA-N
XLogP2.10
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-methylphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
CID 108524160
N-(4-chloro-2-methylphenyl)-N'-[(Z)-(4-propan-2-ylphenyl)methylideneamino]oxamide
CID 6162635
N-(4-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 3969942
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
N'-(2,5-dichlorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108500949
N-(5-chloro-2-methylphenyl)-N'-[(Z)-hexan-2-ylideneamino]oxamide
CID 94846566
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
N-(4-chloro-2-methylphenyl)-N'-[(Z)-(2-methoxyphenyl)methylideneamino]oxamide
CID 6058233
N-(4-chloro-2-methylphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 4284877
N'-(4-chloro-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 4066103
3-(4-chloro-2-methylphenyl)-1,1-dimethylurea
CID 551912
1-(4-chloro-2-methylphenyl)-3-prop-1-en-2-ylurea
CID 108910302

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide (CID 3593007) is N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide is CC(C)=NNC(=O)C(=O)Nc1ccc(Cl)cc1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide?
The InChIKey is ZBEWAFKUGRPGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-7(2)15-16-12(18)11(17)14-10-5-4-9(13)6-8(10)3/h4-6H,1-3H3,(H,14,17)(H,16,18).
What are the key properties of N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide?
N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide has a molecular weight of 267.72 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-N'-(propan-2-ylideneamino)oxamide is sourced from PubChem (CID 3593007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).