N-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide

C15H11BrClN3O2 — CID 6146387

IUPACN-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H11BrClN3O2/c16-11-3-7-13(8-4-11)19-14(21)15(22)20-18-9-10-1-5-12(17)6-2-10/h1-9H,(H,19,21)(H,20,22)/b18-9-
InChIKeyKNFHYASPOBJONL-NVMNQCDNSA-N
MW380.63 g/mol
LogP3.19
Rot. Bonds3

About N-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide

N-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide (PubChem CID 6146387) has the molecular formula C15H11BrClN3O2 and a molecular weight of 380.63 g/mol. Its IUPAC name is N-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide
PubChem CID6146387
Molecular FormulaC15H11BrClN3O2
Molecular Weight380.63 g/mol
Exact Mass378.97
IUPAC NameN-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H11BrClN3O2/c16-11-3-7-13(8-4-11)19-14(21)15(22)20-18-9-10-1-5-12(17)6-2-10/h1-9H,(H,19,21)(H,20,22)/b18-9-
InChIKeyKNFHYASPOBJONL-NVMNQCDNSA-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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Related Compounds

N'-[(Z)-(4-bromophenyl)methylideneamino]-N-(5-chloro-2-methylphenyl)oxamide
CID 94850508
N'-[(4-chlorophenyl)methylideneamino]-N-naphthalen-2-yloxamide
CID 4178084
methyl 2-[4-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 94832752
[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6117413
2-(4-bromoanilino)-N-[(4-chlorophenyl)methylideneamino]propanamide
CID 71960153
[4-[(E)-[[2-(4-acetamidoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 19659684
[4-[(E)-[(2-anilino-2-oxoacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 51060761
[4-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6002745
[4-[[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 3846954
N-(4-bromophenyl)-N'-[(2-bromophenyl)methylideneamino]oxamide
CID 3506666
[4-bromo-2-[[[2-(4-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 3693192
N-(4-bromophenyl)-N'-[(Z)-[4-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 94832756

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide (CID 6146387) is N-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide is O=C(N/N=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide?
The InChIKey is KNFHYASPOBJONL-NVMNQCDNSA-N. The full InChI is InChI=1S/C15H11BrClN3O2/c16-11-3-7-13(8-4-11)19-14(21)15(22)20-18-9-10-1-5-12(17)6-2-10/h1-9H,(H,19,21)(H,20,22)/b18-9-.
What are the key properties of N-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide?
N-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]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-(4-bromophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 6146387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).