N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide

C22H15BrCl2N4O3 — CID 4549616

IUPACN-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C22H15BrCl2N4O3/c23-14-6-9-16(10-7-14)27-20(30)17-3-1-2-4-19(17)28-21(31)22(32)29-26-12-13-5-8-15(24)11-18(13)25/h1-12H,(H,27,30)(H,28,31)(H,29,32)
InChIKeyKLMXDTJYDPYFBS-UHFFFAOYSA-N
MW534.20 g/mol
LogP5.10
Rot. Bonds5

About N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide

N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide (PubChem CID 4549616) has the molecular formula C22H15BrCl2N4O3 and a molecular weight of 534.20 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
PubChem CID4549616
Molecular FormulaC22H15BrCl2N4O3
Molecular Weight534.20 g/mol
Exact Mass531.97
IUPAC NameN-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
SMILESO=C(NN=Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C22H15BrCl2N4O3/c23-14-6-9-16(10-7-14)27-20(30)17-3-1-2-4-19(17)28-21(31)22(32)29-26-12-13-5-8-15(24)11-18(13)25/h1-12H,(H,27,30)(H,28,31)(H,29,32)
InChIKeyKLMXDTJYDPYFBS-UHFFFAOYSA-N
XLogP5.10
TPSA99.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.20
LogP ≤ 55.10
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-chlorophenyl)carbamoyl]phenyl]-N'-[(Z)-(2-chlorophenyl)methylideneamino]oxamide
CID 6161305
N'-[(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 4601771
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-(3-bromophenyl)methylideneamino]oxamide
CID 6019349
4-[(4-bromobenzoyl)amino]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 94836337
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2-oxo-1H-quinolin-3-yl)methylideneamino]oxamide
CID 4595859
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-fluorophenyl)oxamide
CID 6084385
[4-[(Z)-[[2-[2-[(4-chlorophenyl)carbamoyl]anilino]-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6117413
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 6286421
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4583774
N'-[(E)-(2,4-dichlorophenyl)methylideneamino]-N-(2-methoxyphenyl)oxamide
CID 5334540
N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]-N-(4-phenoxyphenyl)oxamide
CID 94846395
N'-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N-[2-[(3-methylphenyl)carbamoyl]phenyl]oxamide
CID 4171439

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide?
The IUPAC name of N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide (CID 4549616) is N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide?
The canonical SMILES for N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide is O=C(NN=Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide?
The InChIKey is KLMXDTJYDPYFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrCl2N4O3/c23-14-6-9-16(10-7-14)27-20(30)17-3-1-2-4-19(17)28-21(31)22(32)29-26-12-13-5-8-15(24)11-18(13)25/h1-12H,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide?
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide has a molecular weight of 534.20 g/mol, XLogP of 5.10, 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'-[(2,4-dichlorophenyl)methylideneamino]oxamide is sourced from PubChem (CID 4549616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).