N-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide

C15H13Cl2N3O2 — CID 108502956

IUPACN-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)c(N)c1
InChIInChI=1S/C15H13Cl2N3O2/c1-8-2-4-13(11(18)6-8)20-15(22)14(21)19-12-5-3-9(16)7-10(12)17/h2-7H,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyBWYSLNIQQIWLSU-UHFFFAOYSA-N
MW338.19 g/mol
LogP3.46
Rot. Bonds2

About N-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide

N-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide (PubChem CID 108502956) has the molecular formula C15H13Cl2N3O2 and a molecular weight of 338.19 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide
PubChem CID108502956
Molecular FormulaC15H13Cl2N3O2
Molecular Weight338.19 g/mol
Exact Mass337.04
IUPAC NameN-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)c(N)c1
InChIInChI=1S/C15H13Cl2N3O2/c1-8-2-4-13(11(18)6-8)20-15(22)14(21)19-12-5-3-9(16)7-10(12)17/h2-7H,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyBWYSLNIQQIWLSU-UHFFFAOYSA-N
XLogP3.46
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dichlorophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108502902
2-amino-5-chloro-N-(2-chloro-4-methylphenyl)benzamide
CID 28967454
N-(4-amino-3-chlorophenyl)-N'-(2,4-dichlorophenyl)oxamide
CID 108502772
N-(2,4-dichlorophenyl)-N'-(4-methyl-2-pyridinyl)oxamide
CID 108502942
N'-(2,5-dichlorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108500949
N-(2-amino-4-methylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108532766
1-(2-amino-4-methylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107652937
N'-(2-amino-4-methylphenyl)-N-(2-hydroxypropyl)oxamide
CID 108521402
N-(4-amino-2-chlorophenyl)-2-fluoro-5-methylbenzamide
CID 62515470
(Z)-4-(2,4-dichloroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 63266947
1-(2,4-dichlorophenyl)-3-(3,5-dimethylphenyl)urea
CID 27036650
N'-(2-amino-5-methylphenyl)-N-(3,5-dichlorophenyl)oxamide
CID 108531086

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide (CID 108502956) is N-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide is Cc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2Cl)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide?
The InChIKey is BWYSLNIQQIWLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2/c1-8-2-4-13(11(18)6-8)20-15(22)14(21)19-12-5-3-9(16)7-10(12)17/h2-7H,18H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide?
N-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide has a molecular weight of 338.19 g/mol, XLogP of 3.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-N'-(2,4-dichlorophenyl)oxamide is sourced from PubChem (CID 108502956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).