N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide

C12H15ClN2O3 — CID 108513847

IUPACN-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCCCl
InChIInChI=1S/C12H15ClN2O3/c1-8-3-4-10(18-2)9(7-8)15-12(17)11(16)14-6-5-13/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJJOYQZLSZYJACC-UHFFFAOYSA-N
MW270.72 g/mol
LogP1.30
Rot. Bonds4

About N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide

N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide (PubChem CID 108513847) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
PubChem CID108513847
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC NameN-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)NCCCl
InChIInChI=1S/C12H15ClN2O3/c1-8-3-4-10(18-2)9(7-8)15-12(17)11(16)14-6-5-13/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyJJOYQZLSZYJACC-UHFFFAOYSA-N
XLogP1.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 2876194
N-(2-chloroethyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108513846
N-(3,5-dichlorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108515607
N'-(2-methoxy-5-methylphenyl)-N-[2-(4-piperidin-1-ylphenyl)ethyl]oxamide
CID 16892238
N-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 45001353
N'-(2-methoxy-5-methylphenyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]oxamide
CID 42268804
N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651
1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)oxamide
CID 108515624
N'-(2,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7541746
N-(2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60636995
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44998456

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
The IUPAC name of N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide (CID 108513847) is N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide.
What is the SMILES notation for N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
The canonical SMILES for N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide is COc1ccc(C)cc1NC(=O)C(=O)NCCCl.
What is the InChIKey of N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
The InChIKey is JJOYQZLSZYJACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-8-3-4-10(18-2)9(7-8)15-12(17)11(16)14-6-5-13/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide has a molecular weight of 270.72 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N'-(2-methoxy-5-methylphenyl)oxamide is sourced from PubChem (CID 108513847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).