N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide

C24H20BrCl2N3O3 — CID 19658779

IUPACN-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccc(Br)cc1C)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H20BrCl2N3O3/c1-14-11-18(25)6-10-22(14)28-23(31)24(32)30-29-15(2)16-4-8-20(9-5-16)33-13-17-3-7-19(26)12-21(17)27/h3-12H,13H2,1-2H3,(H,28,31)(H,30,32)/b29-15+
InChIKeyJLBHTEGIQRGBKN-WKULSOCRSA-N
MW549.25 g/mol
LogP6.12
Rot. Bonds6

About N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide

N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide (PubChem CID 19658779) has the molecular formula C24H20BrCl2N3O3 and a molecular weight of 549.25 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide
PubChem CID19658779
Molecular FormulaC24H20BrCl2N3O3
Molecular Weight549.25 g/mol
Exact Mass547.01
IUPAC NameN-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide
SMILESC/C(=N\NC(=O)C(=O)Nc1ccc(Br)cc1C)c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C24H20BrCl2N3O3/c1-14-11-18(25)6-10-22(14)28-23(31)24(32)30-29-15(2)16-4-8-20(9-5-16)33-13-17-3-7-19(26)12-21(17)27/h3-12H,13H2,1-2H3,(H,28,31)(H,30,32)/b29-15+
InChIKeyJLBHTEGIQRGBKN-WKULSOCRSA-N
XLogP6.12
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.25
LogP ≤ 56.12
H-Bond Donors ≤ 52
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-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19659738
N-(4-bromo-2-methylphenyl)-N'-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4191535
N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide
CID 19659382
ethyl 2-[[2-[2-[1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylidene]hydrazinyl]-2-oxoacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5174383
N-(4-bromophenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19660675
N-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19659972
N-(2-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19658302
N-(4-bromo-2-methylphenyl)-N'-[(E)-1-(4-pyrrol-1-ylphenyl)ethylideneamino]oxamide
CID 19659135
N-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19658163
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19659544
N-(4-bromo-2-methylphenyl)-N'-[(E)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19660735
N-(4-chloro-2-methylphenyl)-4-[(2-chlorophenyl)methoxy]benzamide
CID 8813256

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide (CID 19658779) is N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide is C/C(=N\NC(=O)C(=O)Nc1ccc(Br)cc1C)c1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide?
The InChIKey is JLBHTEGIQRGBKN-WKULSOCRSA-N. The full InChI is InChI=1S/C24H20BrCl2N3O3/c1-14-11-18(25)6-10-22(14)28-23(31)24(32)30-29-15(2)16-4-8-20(9-5-16)33-13-17-3-7-19(26)12-21(17)27/h3-12H,13H2,1-2H3,(H,28,31)(H,30,32)/b29-15+.
What are the key properties of N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide?
N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide has a molecular weight of 549.25 g/mol, XLogP of 6.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide is sourced from PubChem (CID 19658779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).