N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide

C18H18ClN3O3 — CID 3358290

IUPACN-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C18H18ClN3O3/c1-11-6-12(2)8-15(7-11)22-18(25)17(24)20-10-16(23)21-14-5-3-4-13(19)9-14/h3-9H,10H2,1-2H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyBYZBXWZGNKVQOM-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.65
Rot. Bonds4

About N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide

N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide (PubChem CID 3358290) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide
PubChem CID3358290
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC NameN-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)NCC(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C18H18ClN3O3/c1-11-6-12(2)8-15(7-11)22-18(25)17(24)20-10-16(23)21-14-5-3-4-13(19)9-14/h3-9H,10H2,1-2H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyBYZBXWZGNKVQOM-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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-methylphenyl)oxamide
CID 4297035
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
CID 3910644
N'-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2184173
N-(3-chlorophenyl)-N'-(3,5-dichlorophenyl)oxamide
CID 108516544
2-(3-bromo-5-methylanilino)-N-(3-chlorophenyl)acetamide
CID 107583061
3-chloro-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 772080
N'-(3-chlorophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7292715
N'-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2174354
N'-(3-acetamidophenyl)-N-(3-chlorophenyl)oxamide
CID 108516501
2-[[2-(3-chloroanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 7292713
2-(3-chloroanilino)-N-(3,5-dichlorophenyl)acetamide
CID 54809235
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide?
The IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide (CID 3358290) is N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide.
What is the SMILES notation for N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide?
The canonical SMILES for N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide is Cc1cc(C)cc(NC(=O)C(=O)NCC(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide?
The InChIKey is BYZBXWZGNKVQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c1-11-6-12(2)8-15(7-11)22-18(25)17(24)20-10-16(23)21-14-5-3-4-13(19)9-14/h3-9H,10H2,1-2H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide?
N-[2-(3-chloroanilino)-2-oxoethyl]-N'-(3,5-dimethylphenyl)oxamide has a molecular weight of 359.81 g/mol, XLogP of 2.65, 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'-(3,5-dimethylphenyl)oxamide is sourced from PubChem (CID 3358290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).