N'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide

C15H13BrClN3O2 — CID 108516290

IUPACN'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide
SMILESCc1cc(Br)ccc1NC(=O)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C15H13BrClN3O2/c1-8-6-9(16)2-4-12(8)19-14(21)15(22)20-13-5-3-10(18)7-11(13)17/h2-7H,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyOJSMEBCTWMZHPK-UHFFFAOYSA-N
MW382.65 g/mol
LogP3.57
Rot. Bonds2

About N'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide

N'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide (PubChem CID 108516290) has the molecular formula C15H13BrClN3O2 and a molecular weight of 382.65 g/mol. Its IUPAC name is N'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide
PubChem CID108516290
Molecular FormulaC15H13BrClN3O2
Molecular Weight382.65 g/mol
Exact Mass380.99
IUPAC NameN'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide
SMILESCc1cc(Br)ccc1NC(=O)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C15H13BrClN3O2/c1-8-6-9(16)2-4-12(8)19-14(21)15(22)20-13-5-3-10(18)7-11(13)17/h2-7H,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyOJSMEBCTWMZHPK-UHFFFAOYSA-N
XLogP3.57
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.65
LogP ≤ 53.57
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-(4-amino-2-chlorophenyl)-5-bromo-2-chlorobenzamide
CID 43378801
N-(4-bromo-2-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532468
4-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347149
5-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzamide
CID 3480420
N-(4-bromo-2-methylphenyl)-N'-(2-bromophenyl)oxamide
CID 108531900
5-amino-N-(4-bromo-2-chlorophenyl)-2-chlorobenzamide
CID 43347151
methyl 2-(4-bromo-2-chloroanilino)-2-oxoacetate
CID 112683071
N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide
CID 108532618
5-amino-N-(4-bromo-2-chlorophenyl)-2,4-dimethylbenzamide
CID 102704991
N-(4-amino-2-chlorophenyl)-3-bromo-4-methylbenzamide
CID 81470767
N-(5-amino-2-methylphenyl)-5-bromo-2-chlorobenzamide
CID 43378791
(4-bromo-2-chlorophenyl)urea
CID 60759349

Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide?
The IUPAC name of N'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide (CID 108516290) is N'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide.
What is the SMILES notation for N'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide?
The canonical SMILES for N'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide is Cc1cc(Br)ccc1NC(=O)C(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide?
The InChIKey is OJSMEBCTWMZHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN3O2/c1-8-6-9(16)2-4-12(8)19-14(21)15(22)20-13-5-3-10(18)7-11(13)17/h2-7H,18H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide?
N'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide has a molecular weight of 382.65 g/mol, XLogP of 3.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide is sourced from PubChem (CID 108516290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).