N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide

C17H16ClN3O3 — CID 4297035

IUPACN-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClN3O3/c1-11-4-2-6-13(8-11)21-17(24)16(23)19-10-15(22)20-14-7-3-5-12(18)9-14/h2-9H,10H2,1H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyVGHWTURTWOCOBI-UHFFFAOYSA-N
MW345.79 g/mol
LogP2.34
Rot. Bonds4

About N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide

N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide (PubChem CID 4297035) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
PubChem CID4297035
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClN3O3/c1-11-4-2-6-13(8-11)21-17(24)16(23)19-10-15(22)20-14-7-3-5-12(18)9-14/h2-9H,10H2,1H3,(H,19,23)(H,20,22)(H,21,24)
InChIKeyVGHWTURTWOCOBI-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
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-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide
CID 3358290
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
CID 3910644
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
N'-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2184173
4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9039107
N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7292715
2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide
CID 107583061
N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174354
N'-(3-chlorophenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491126
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide?
The IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide (CID 4297035) is N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)NCC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide?
The InChIKey is VGHWTURTWOCOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-11-4-2-6-13(8-11)21-17(24)16(23)19-10-15(22)20-14-7-3-5-12(18)9-14/h2-9H,10H2,1H3,(H,19,23)(H,20,22)(H,21,24).
What are the key properties of N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide?
N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide has a molecular weight of 345.79 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 4297035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).