N'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide

C18H18ClN3O3 — CID 86995475

IUPACN'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)NCc2cccc(Cl)c2)c1C
InChIInChI=1S/C18H18ClN3O3/c1-11-15(21-12(2)23)7-4-8-16(11)22-18(25)17(24)20-10-13-5-3-6-14(19)9-13/h3-9H,10H2,1-2H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyMJCYTXMIJVYKCC-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.86
Rot. Bonds4

About N'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide

N'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide (PubChem CID 86995475) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide
PubChem CID86995475
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)NCc2cccc(Cl)c2)c1C
InChIInChI=1S/C18H18ClN3O3/c1-11-15(21-12(2)23)7-4-8-16(11)22-18(25)17(24)20-10-13-5-3-6-14(19)9-13/h3-9H,10H2,1-2H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyMJCYTXMIJVYKCC-UHFFFAOYSA-N
XLogP2.86
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.86
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-chlorophenyl)methyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide
CID 51044918
N-[2-(3-chlorophenyl)ethyl]-N'-(2-methylphenyl)oxamide
CID 108986517
N-[2-(3-chlorophenyl)ethyl]-N'-[(3-methylphenyl)methyl]oxamide
CID 108984728
N'-(5-chloro-2-methoxyphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 108984763
N'-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2184173
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[2-[(3-chlorophenyl)methylamino]ethyl]acetamide
CID 28710214
N'-(3-acetamidophenyl)-N-[(4-chlorophenyl)methyl]oxamide
CID 7584730
N-[5-[(3-chlorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928498
N-[[3-(aminomethyl)phenyl]methyl]-N'-(5-chloro-2-methoxyphenyl)oxamide
CID 108502199
N-[(3,4-dimethoxyphenyl)methyl]-N'-(2,3-dimethylphenyl)oxamide
CID 108985884
N-[[3-(aminomethyl)phenyl]methyl]-N'-(2,5-dimethylphenyl)oxamide
CID 108519011

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide?
The IUPAC name of N'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide (CID 86995475) is N'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide.
What is the SMILES notation for N'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide?
The canonical SMILES for N'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide is CC(=O)Nc1cccc(NC(=O)C(=O)NCc2cccc(Cl)c2)c1C.
What is the InChIKey of N'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide?
The InChIKey is MJCYTXMIJVYKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-11-15(21-12(2)23)7-4-8-16(11)22-18(25)17(24)20-10-13-5-3-6-14(19)9-13/h3-9H,10H2,1-2H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of N'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide?
N'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide has a molecular weight of 359.81 g/mol, XLogP of 2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetamido-2-methylphenyl)-N-[(3-chlorophenyl)methyl]oxamide is sourced from PubChem (CID 86995475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).