N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide

C17H18ClN3O3 — CID 108532479

IUPACN-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)Nc1cc(C)ccc1N
InChIInChI=1S/C17H18ClN3O3/c1-9-4-5-12(19)13(6-9)20-16(22)17(23)21-14-7-10(2)11(18)8-15(14)24-3/h4-8H,19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyAKEBGKKRKRQGOG-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.12
Rot. Bonds3

About N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide

N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide (PubChem CID 108532479) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
PubChem CID108532479
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)C(=O)Nc1cc(C)ccc1N
InChIInChI=1S/C17H18ClN3O3/c1-9-4-5-12(19)13(6-9)20-16(22)17(23)21-14-7-10(2)11(18)8-15(14)24-3/h4-8H,19H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyAKEBGKKRKRQGOG-UHFFFAOYSA-N
XLogP3.12
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-amino-5-methylphenyl)-N-(4-chloro-2,5-dimethoxyphenyl)oxamide
CID 108532284
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108532298
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659
N-(4-bromo-2-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532468
N-(2-amino-5-methylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108532452
N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513088
N-(4-acetylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108514881
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-ethylphenyl)oxamide
CID 108530380
1-N'-(4-chloro-2-methoxy-5-methylphenyl)-1-N-(2,5-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981368
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-nitrophenyl)oxamide
CID 108513231
2-amino-6-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)benzamide
CID 63658199

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide?
The IUPAC name of N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide (CID 108532479) is N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide.
What is the SMILES notation for N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide?
The canonical SMILES for N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide is COc1cc(Cl)c(C)cc1NC(=O)C(=O)Nc1cc(C)ccc1N.
What is the InChIKey of N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide?
The InChIKey is AKEBGKKRKRQGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-9-4-5-12(19)13(6-9)20-16(22)17(23)21-14-7-10(2)11(18)8-15(14)24-3/h4-8H,19H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide?
N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide has a molecular weight of 347.80 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide is sourced from PubChem (CID 108532479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).