N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide

C17H16ClN3O3 — CID 7584730

IUPACN'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClN3O3/c1-11(22)20-14-3-2-4-15(9-14)21-17(24)16(23)19-10-12-5-7-13(18)8-6-12/h2-9H,10H2,1H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyYLRVPTZVRKPYHI-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.55
Rot. Bonds4

About N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide

N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide (PubChem CID 7584730) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide
PubChem CID7584730
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClN3O3/c1-11(22)20-14-3-2-4-15(9-14)21-17(24)16(23)19-10-12-5-7-13(18)8-6-12/h2-9H,10H2,1H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyYLRVPTZVRKPYHI-UHFFFAOYSA-N
XLogP2.55
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-chlorophenyl)methylcarbamoylamino]phenyl]acetamide
CID 108884075
N-[(4-chlorophenyl)methyl]-N'-(3-fluorophenyl)oxamide
CID 2272581
N'-(3-acetamidophenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 7584760
N'-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2184173
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N'-(3-acetamidophenyl)-N-(2-aminoethyl)oxamide
CID 43316047
N'-(3-acetylphenyl)-N-[2-(4-chlorophenyl)ethyl]oxamide
CID 108985815
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 2582191
N-(3-acetamidophenyl)-N'-(2,5-dichlorophenyl)oxamide
CID 108501018
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
N-(3-acetamidophenyl)-4-[(4-chlorophenyl)methylamino]pyridine-2-carboxamide
CID 109211921
1-[(4-chlorophenyl)methyl]-3-(3-iodophenyl)urea
CID 5171614

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide?
The IUPAC name of N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide (CID 7584730) is N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide.
What is the SMILES notation for N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide?
The canonical SMILES for N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide is CC(=O)Nc1cccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)c1.
What is the InChIKey of N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide?
The InChIKey is YLRVPTZVRKPYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-11(22)20-14-3-2-4-15(9-14)21-17(24)16(23)19-10-12-5-7-13(18)8-6-12/h2-9H,10H2,1H3,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide?
N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide has a molecular weight of 345.79 g/mol, XLogP of 2.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide is sourced from PubChem (CID 7584730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).