N'-(3,4-dichlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]oxamide

C17H15Cl2N3O3 — CID 4317338

IUPACN'-(3,4-dichlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]oxamide
SMILESCc1ccccc1NC(=O)CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O3/c1-10-4-2-3-5-14(10)22-15(23)9-20-16(24)17(25)21-11-6-7-12(18)13(19)8-11/h2-8H,9H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyDZVZZENRDSYJGU-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.00
Rot. Bonds4

About N'-(3,4-dichlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]oxamide

N'-(3,4-dichlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]oxamide (PubChem CID 4317338) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is N'-(3,4-dichlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-dichlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]oxamide
PubChem CID4317338
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC NameN'-(3,4-dichlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]oxamide
SMILESCc1ccccc1NC(=O)CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3O3/c1-10-4-2-3-5-14(10)22-15(23)9-20-16(24)17(25)21-11-6-7-12(18)13(19)8-11/h2-8H,9H2,1H3,(H,20,24)(H,21,25)(H,22,23)
InChIKeyDZVZZENRDSYJGU-UHFFFAOYSA-N
XLogP3.00
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.00
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

1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
CID 71381636
2-(3,4-dichlorophenyl)-N-(2-methylphenyl)acetamide
CID 2599145
2-(3,4-dichloroanilino)-N-(2,3-dimethylphenyl)acetamide
CID 26416873
methyl N-[2-(2-methylanilino)-2-oxoethyl]carbamate
CID 112996068
2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide
CID 9411490
N-(cyanomethyl)-N'-(3,4-dichlorophenyl)oxamide
CID 43315781
N-(3,4-dichlorophenyl)-2-(2-methoxyanilino)acetamide
CID 9080426
N-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetamide
CID 9099109
2-(3,4-dichloroanilino)-N-(2,5-dimethylphenyl)acetamide
CID 26416900
N-(3-chloro-4-methylphenyl)-N'-(2-chlorophenyl)propanediamide
CID 108954873
4-chloro-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 934733

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dichlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]oxamide?
The IUPAC name of N'-(3,4-dichlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]oxamide (CID 4317338) is N'-(3,4-dichlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]oxamide.
What is the SMILES notation for N'-(3,4-dichlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]oxamide?
The canonical SMILES for N'-(3,4-dichlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]oxamide is Cc1ccccc1NC(=O)CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N'-(3,4-dichlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]oxamide?
The InChIKey is DZVZZENRDSYJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c1-10-4-2-3-5-14(10)22-15(23)9-20-16(24)17(25)21-11-6-7-12(18)13(19)8-11/h2-8H,9H2,1H3,(H,20,24)(H,21,25)(H,22,23).
What are the key properties of N'-(3,4-dichlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]oxamide?
N'-(3,4-dichlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]oxamide has a molecular weight of 380.23 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,4-dichlorophenyl)-N-[2-(2-methylanilino)-2-oxoethyl]oxamide is sourced from PubChem (CID 4317338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).