N'-[(E)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide

C15H11BrClN3O2 — CID 5333349

IUPACN'-[(E)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide
SMILESO=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H11BrClN3O2/c16-11-4-1-3-10(7-11)9-18-20-15(22)14(21)19-13-6-2-5-12(17)8-13/h1-9H,(H,19,21)(H,20,22)/b18-9+
InChIKeyAOOKOTGSTGADNR-GIJQJNRQSA-N
MW380.63 g/mol
LogP3.19
Rot. Bonds3

About N'-[(E)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide

N'-[(E)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide (PubChem CID 5333349) has the molecular formula C15H11BrClN3O2 and a molecular weight of 380.63 g/mol. Its IUPAC name is N'-[(E)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide
PubChem CID5333349
Molecular FormulaC15H11BrClN3O2
Molecular Weight380.63 g/mol
Exact Mass378.97
IUPAC NameN'-[(E)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide
SMILESO=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C15H11BrClN3O2/c16-11-4-1-3-10(7-11)9-18-20-15(22)14(21)19-13-6-2-5-12(17)8-13/h1-9H,(H,19,21)(H,20,22)/b18-9+
InChIKeyAOOKOTGSTGADNR-GIJQJNRQSA-N
XLogP3.19
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.63
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide?
The IUPAC name of N'-[(E)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide (CID 5333349) is N'-[(E)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide.
What is the SMILES notation for N'-[(E)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide?
The canonical SMILES for N'-[(E)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide is O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N'-[(E)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide?
The InChIKey is AOOKOTGSTGADNR-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H11BrClN3O2/c16-11-4-1-3-10(7-11)9-18-20-15(22)14(21)19-13-6-2-5-12(17)8-13/h1-9H,(H,19,21)(H,20,22)/b18-9+.
What are the key properties of N'-[(E)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide?
N'-[(E)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide has a molecular weight of 380.63 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3-bromophenyl)methylideneamino]-N-(3-chlorophenyl)oxamide is sourced from PubChem (CID 5333349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).