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

C29H22Br2N4O4 — CID 4583774

IUPACN-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESO=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C29H22Br2N4O4/c30-21-11-9-19(10-12-21)18-39-26-8-4-1-5-20(26)17-32-35-29(38)28(37)34-25-7-3-2-6-24(25)27(36)33-23-15-13-22(31)14-16-23/h1-17H,18H2,(H,33,36)(H,34,37)(H,35,38)
InChIKeyYQWJCQFNAZEOCA-UHFFFAOYSA-N
MW650.33 g/mol
LogP6.13
Rot. Bonds8

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

N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]oxamide (PubChem CID 4583774) has the molecular formula C29H22Br2N4O4 and a molecular weight of 650.33 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]oxamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]oxamide
PubChem CID4583774
Molecular FormulaC29H22Br2N4O4
Molecular Weight650.33 g/mol
Exact Mass648.00
IUPAC NameN-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]oxamide
SMILESO=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C29H22Br2N4O4/c30-21-11-9-19(10-12-21)18-39-26-8-4-1-5-20(26)17-32-35-29(38)28(37)34-25-7-3-2-6-24(25)27(36)33-23-15-13-22(31)14-16-23/h1-17H,18H2,(H,33,36)(H,34,37)(H,35,38)
InChIKeyYQWJCQFNAZEOCA-UHFFFAOYSA-N
XLogP6.13
TPSA108.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.33
LogP ≤ 56.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(phenylcarbamoyl)phenyl]-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 45054984
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]oxamide
CID 6139460
N'-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-N-(3,4-dichlorophenyl)oxamide
CID 45054809
N-(4-fluorophenyl)-N'-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6263424
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 96886048
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]naphthalene-1-carboxamide
CID 86809471
2-[2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 3698139
N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 51060568
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(2,4-dichlorophenyl)methylideneamino]oxamide
CID 4549616
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136808223
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide
CID 3644481
[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'-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]oxamide?
The IUPAC name of N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]oxamide (CID 4583774) is N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]oxamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]oxamide?
The canonical SMILES for N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]oxamide is O=C(NN=Cc1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]oxamide?
The InChIKey is YQWJCQFNAZEOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22Br2N4O4/c30-21-11-9-19(10-12-21)18-39-26-8-4-1-5-20(26)17-32-35-29(38)28(37)34-25-7-3-2-6-24(25)27(36)33-23-15-13-22(31)14-16-23/h1-17H,18H2,(H,33,36)(H,34,37)(H,35,38).
What are the key properties of N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]oxamide?
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]oxamide has a molecular weight of 650.33 g/mol, XLogP of 6.13, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]oxamide is sourced from PubChem (CID 4583774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).