N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide

C12H15ClN2O3 — CID 44996627

IUPACN'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-18-7-6-14-11(16)12(17)15-8-9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyPQPUSHZQMIBPSY-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.72
Rot. Bonds5

About N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide

N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide (PubChem CID 44996627) has the molecular formula C12H15ClN2O3 and a molecular weight of 270.72 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide
PubChem CID44996627
Molecular FormulaC12H15ClN2O3
Molecular Weight270.72 g/mol
Exact Mass270.08
IUPAC NameN'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C12H15ClN2O3/c1-18-7-6-14-11(16)12(17)15-8-9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyPQPUSHZQMIBPSY-UHFFFAOYSA-N
XLogP0.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)methyl]-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959459
N-[(2-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119673533
(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2-methoxyethyl)prop-2-enamide
CID 108833231
4-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836241
N-[2-(4-chlorophenyl)ethyl]-N'-[(2-chlorophenyl)methyl]oxamide
CID 18588832
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-hydroxypropyl]oxamide
CID 51471613
N'-(2,3-dichlorophenyl)-N-(2-methoxyethyl)oxamide
CID 620497
methyl 4-[[2-[(2-chlorophenyl)methylamino]-2-oxoacetyl]amino]benzoate
CID 7585238
4-[(2-chlorophenyl)methoxy]-N-(2-methoxyethyl)benzamide
CID 6462098
N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide
CID 2266307
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
1-N-[(2-chlorophenyl)methyl]-3-N-(2-methoxyethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109068997

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide?
The IUPAC name of N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide (CID 44996627) is N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)NCc1ccccc1Cl.
What is the InChIKey of N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide?
The InChIKey is PQPUSHZQMIBPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3/c1-18-7-6-14-11(16)12(17)15-8-9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide?
N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide has a molecular weight of 270.72 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide is sourced from PubChem (CID 44996627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).