N'-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]oxamide

C15H12BrClN2O2 — CID 2244436

IUPACN'-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H12BrClN2O2/c16-11-2-1-3-13(8-11)19-15(21)14(20)18-9-10-4-6-12(17)7-5-10/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyZJPWQTNGEDHEGX-UHFFFAOYSA-N
MW367.63 g/mol
LogP3.36
Rot. Bonds3

About N'-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]oxamide

N'-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]oxamide (PubChem CID 2244436) has the molecular formula C15H12BrClN2O2 and a molecular weight of 367.63 g/mol. Its IUPAC name is N'-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]oxamide
PubChem CID2244436
Molecular FormulaC15H12BrClN2O2
Molecular Weight367.63 g/mol
Exact Mass365.98
IUPAC NameN'-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]oxamide
SMILESO=C(NCc1ccc(Cl)cc1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C15H12BrClN2O2/c16-11-2-1-3-13(8-11)19-15(21)14(20)18-9-10-4-6-12(17)7-5-10/h1-8H,9H2,(H,18,20)(H,19,21)
InChIKeyZJPWQTNGEDHEGX-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.63
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]oxamide?
The IUPAC name of N'-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]oxamide (CID 2244436) is N'-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]oxamide.
What is the SMILES notation for N'-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]oxamide?
The canonical SMILES for N'-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]oxamide is O=C(NCc1ccc(Cl)cc1)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N'-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]oxamide?
The InChIKey is ZJPWQTNGEDHEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O2/c16-11-2-1-3-13(8-11)19-15(21)14(20)18-9-10-4-6-12(17)7-5-10/h1-8H,9H2,(H,18,20)(H,19,21).
What are the key properties of N'-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]oxamide?
N'-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]oxamide has a molecular weight of 367.63 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)-N-[(4-chlorophenyl)methyl]oxamide is sourced from PubChem (CID 2244436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).