N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide

C16H14ClN3O4 — CID 108501263

IUPACN-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl
InChIInChI=1S/C16H14ClN3O4/c1-24-13-7-6-11(8-12(13)17)20-16(23)15(22)19-10-4-2-9(3-5-10)14(18)21/h2-8H,1H3,(H2,18,21)(H,19,22)(H,20,23)
InChIKeyAUVNCJCBOXDUMQ-UHFFFAOYSA-N
MW347.76 g/mol
LogP2.02
Rot. Bonds4

About N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide

N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide (PubChem CID 108501263) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide
PubChem CID108501263
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC NameN-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl
InChIInChI=1S/C16H14ClN3O4/c1-24-13-7-6-11(8-12(13)17)20-16(23)15(22)19-10-4-2-9(3-5-10)14(18)21/h2-8H,1H3,(H2,18,21)(H,19,22)(H,20,23)
InChIKeyAUVNCJCBOXDUMQ-UHFFFAOYSA-N
XLogP2.02
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-[(4-carbamoylphenyl)carbamothioyl]-3-chloro-4-methoxybenzamide;hydrochloride
CID 87563540
1-(4-acetylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 17265364
N-(4-carbamoylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 45001353
[2-(3-chloro-4-methoxyanilino)-2-oxo-1-phenylethyl] 4-carbamoylbenzoate
CID 55359068
N'-(3,4-dimethoxyphenyl)-N-phenyloxamide
CID 44999686
1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 56695004
N-(3-chloro-4-methoxyphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 44999396
N'-(2-chloro-4,6-dimethylphenyl)-N-(3-chloro-4-methoxyphenyl)oxamide
CID 108501287
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499
4-[[2-(4-chloro-2,5-dimethoxyanilino)acetyl]amino]benzamide
CID 46633585
3-chloro-4-methoxy-N-(4-methoxyphenyl)benzamide
CID 44871411

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide?
The IUPAC name of N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide (CID 108501263) is N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl.
What is the InChIKey of N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide?
The InChIKey is AUVNCJCBOXDUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c1-24-13-7-6-11(8-12(13)17)20-16(23)15(22)19-10-4-2-9(3-5-10)14(18)21/h2-8H,1H3,(H2,18,21)(H,19,22)(H,20,23).
What are the key properties of N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide?
N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide has a molecular weight of 347.76 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide is sourced from PubChem (CID 108501263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).