N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide

C22H16Br2N4O3 — CID 6019349

IUPACN-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1cccc(Br)c1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C22H16Br2N4O3/c23-15-8-10-17(11-9-15)26-20(29)18-6-1-2-7-19(18)27-21(30)22(31)28-25-13-14-4-3-5-16(24)12-14/h1-13H,(H,26,29)(H,27,30)(H,28,31)/b25-13-
InChIKeyXOCULDPEAZFQME-MXAYSNPKSA-N
MW544.20 g/mol
LogP4.55
Rot. Bonds5

About N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide

N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide (PubChem CID 6019349) has the molecular formula C22H16Br2N4O3 and a molecular weight of 544.20 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide
PubChem CID6019349
Molecular FormulaC22H16Br2N4O3
Molecular Weight544.20 g/mol
Exact Mass541.96
IUPAC NameN-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide
SMILESO=C(N/N=C\c1cccc(Br)c1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C22H16Br2N4O3/c23-15-8-10-17(11-9-15)26-20(29)18-6-1-2-7-19(18)27-21(30)22(31)28-25-13-14-4-3-5-16(24)12-14/h1-13H,(H,26,29)(H,27,30)(H,28,31)/b25-13-
InChIKeyXOCULDPEAZFQME-MXAYSNPKSA-N
XLogP4.55
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.20
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 6153387
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(3,4,5-trimethoxyphenyl)methylideneamino]oxamide
CID 4143510
N'-(benzylideneamino)-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 5060623
N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 6010711
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
CID 4549616
4-[(4-bromobenzoyl)amino]-N-[(E)-(3-bromophenyl)methylideneamino]benzamide
CID 19578867
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 4171439
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide
CID 4595859
[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6117413
N'-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 92844365
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4583774
[4-bromo-2-[(Z)-[[2-[2-[(4-bromophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 6042527

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide?
The IUPAC name of N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide (CID 6019349) is N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide?
The canonical SMILES for N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide is O=C(N/N=C\c1cccc(Br)c1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide?
The InChIKey is XOCULDPEAZFQME-MXAYSNPKSA-N. The full InChI is InChI=1S/C22H16Br2N4O3/c23-15-8-10-17(11-9-15)26-20(29)18-6-1-2-7-19(18)27-21(30)22(31)28-25-13-14-4-3-5-16(24)12-14/h1-13H,(H,26,29)(H,27,30)(H,28,31)/b25-13-.
What are the key properties of N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide?
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide has a molecular weight of 544.20 g/mol, XLogP of 4.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide is sourced from PubChem (CID 6019349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).