N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide

C17H16BrN3O2 — CID 9155868

IUPACN'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
SMILESC/C(=N/NC(=O)C(=O)Nc1ccc(C)cc1)c1ccccc1Br
InChIInChI=1S/C17H16BrN3O2/c1-11-7-9-13(10-8-11)19-16(22)17(23)21-20-12(2)14-5-3-4-6-15(14)18/h3-10H,1-2H3,(H,19,22)(H,21,23)/b20-12-
InChIKeyKPWAKOMTGXOTSY-NDENLUEZSA-N
MW374.24 g/mol
LogP3.24
Rot. Bonds3

About N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide

N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 9155868) has the molecular formula C17H16BrN3O2 and a molecular weight of 374.24 g/mol. Its IUPAC name is N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID9155868
Molecular FormulaC17H16BrN3O2
Molecular Weight374.24 g/mol
Exact Mass373.04
IUPAC NameN'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
SMILESC/C(=N/NC(=O)C(=O)Nc1ccc(C)cc1)c1ccccc1Br
InChIInChI=1S/C17H16BrN3O2/c1-11-7-9-13(10-8-11)19-16(22)17(23)21-20-12(2)14-5-3-4-6-15(14)18/h3-10H,1-2H3,(H,19,22)(H,21,23)/b20-12-
InChIKeyKPWAKOMTGXOTSY-NDENLUEZSA-N
XLogP3.24
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.24
LogP ≤ 53.24
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'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 135574728
N'-[(Z)-1-(2,5-dimethylfuran-3-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9179733
N'-[(E)-(2-bromophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 45054503
N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
CID 3527401
N-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)ethylideneamino]oxamide
CID 3377445
[2-[N-[[2-(3,5-dimethylanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 2-methoxybenzoate
CID 4111127
N'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide
CID 9155525
N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide
CID 3102509
N-[(Z)-1-(2-bromophenyl)ethylideneamino]-4-methylbenzenesulfonamide
CID 72792791
N'-[(Z)-1-(4-bromophenyl)propylideneamino]-N-(4-methylphenyl)oxamide
CID 9179762
N,N'-bis[1-(4-methylphenyl)ethylideneamino]oxamide
CID 2831844
[2-[(E)-N-[[2-(2-fluoroanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 2-bromobenzoate
CID 19658755

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide (CID 9155868) is N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide is C/C(=N/NC(=O)C(=O)Nc1ccc(C)cc1)c1ccccc1Br.
What is the InChIKey of N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is KPWAKOMTGXOTSY-NDENLUEZSA-N. The full InChI is InChI=1S/C17H16BrN3O2/c1-11-7-9-13(10-8-11)19-16(22)17(23)21-20-12(2)14-5-3-4-6-15(14)18/h3-10H,1-2H3,(H,19,22)(H,21,23)/b20-12-.
What are the key properties of N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide?
N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide has a molecular weight of 374.24 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 9155868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).