N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide

C18H18BrN3O2 — CID 9179762

IUPACN'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide
SMILESCC/C(=N/NC(=O)C(=O)Nc1ccc(C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrN3O2/c1-3-16(13-6-8-14(19)9-7-13)21-22-18(24)17(23)20-15-10-4-12(2)5-11-15/h4-11H,3H2,1-2H3,(H,20,23)(H,22,24)/b21-16-
InChIKeyRIOCFKZNRGIJGO-PGMHBOJBSA-N
MW388.27 g/mol
LogP3.63
Rot. Bonds4

About N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide

N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 9179762) has the molecular formula C18H18BrN3O2 and a molecular weight of 388.27 g/mol. Its IUPAC name is N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID9179762
Molecular FormulaC18H18BrN3O2
Molecular Weight388.27 g/mol
Exact Mass387.06
IUPAC NameN'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide
SMILESCC/C(=N/NC(=O)C(=O)Nc1ccc(C)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H18BrN3O2/c1-3-16(13-6-8-14(19)9-7-13)21-22-18(24)17(23)20-15-10-4-12(2)5-11-15/h4-11H,3H2,1-2H3,(H,20,23)(H,22,24)/b21-16-
InChIKeyRIOCFKZNRGIJGO-PGMHBOJBSA-N
XLogP3.63
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.63
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'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide
CID 3102509
N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide
CID 6380385
N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide
CID 9180166
N-(4-bromophenyl)-N'-(1-phenylpropylideneamino)butanediamide
CID 3266986
N-(4-methylphenyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
CID 9179587
2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 3635531
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(4-methylphenyl)oxamide
CID 124626154
N-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19660675
N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9155868
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
N'-[(Z)-1-(4-butylphenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9180162
[4-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6002745

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide (CID 9179762) is N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide is CC/C(=N/NC(=O)C(=O)Nc1ccc(C)cc1)c1ccc(Br)cc1.
What is the InChIKey of N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is RIOCFKZNRGIJGO-PGMHBOJBSA-N. The full InChI is InChI=1S/C18H18BrN3O2/c1-3-16(13-6-8-14(19)9-7-13)21-22-18(24)17(23)20-15-10-4-12(2)5-11-15/h4-11H,3H2,1-2H3,(H,20,23)(H,22,24)/b21-16-.
What are the key properties of N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide?
N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide has a molecular weight of 388.27 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 9179762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).