N'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide

C24H19BrCl3N3O4 — CID 19659955

IUPACN'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C24H19BrCl3N3O4/c1-13-17(26)5-4-8-20(13)30-23(32)24(33)31-29-11-14-9-16(25)22(21(10-14)34-2)35-12-15-18(27)6-3-7-19(15)28/h3-11H,12H2,1-2H3,(H,30,32)(H,31,33)/b29-11+
InChIKeyYUWPUXOULNOFDG-VPUKRXIYSA-N
MW599.70 g/mol
LogP6.39
Rot. Bonds7

About N'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide

N'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide (PubChem CID 19659955) has the molecular formula C24H19BrCl3N3O4 and a molecular weight of 599.70 g/mol. Its IUPAC name is N'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide
PubChem CID19659955
Molecular FormulaC24H19BrCl3N3O4
Molecular Weight599.70 g/mol
Exact Mass596.96
IUPAC NameN'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1c(Cl)cccc1Cl
InChIInChI=1S/C24H19BrCl3N3O4/c1-13-17(26)5-4-8-20(13)30-23(32)24(33)31-29-11-14-9-16(25)22(21(10-14)34-2)35-12-15-18(27)6-3-7-19(15)28/h3-11H,12H2,1-2H3,(H,30,32)(H,31,33)/b29-11+
InChIKeyYUWPUXOULNOFDG-VPUKRXIYSA-N
XLogP6.39
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.70
LogP ≤ 56.39
H-Bond Donors ≤ 52
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'-[[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(4-bromo-2-fluorophenyl)oxamide
CID 5058990
methyl N-[[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]carbamate
CID 5009663
ethyl N-[(Z)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]carbamate
CID 6299739
N'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2,3-dimethyl-5-oxo-1H-pyrazol-4-yl)oxamide
CID 17052842
N'-[[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 4255689
N'-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide
CID 4195704
N-(3-chloro-2-methylphenyl)-N'-[[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 4105886
N'-[[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-N-(2,3-dichlorophenyl)oxamide
CID 4072886
N'-[(Z)-[3-bromo-4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-5-methoxyphenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 126162996
N'-[(Z)-[3-bromo-4-[2-(3-chloro-2-methylanilino)-2-oxoethoxy]-5-ethoxyphenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126156617
N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxamide
CID 124540731
N'-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 4090706

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide?
The IUPAC name of N'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide (CID 19659955) is N'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide.
What is the SMILES notation for N'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide?
The canonical SMILES for N'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide is COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCc1c(Cl)cccc1Cl.
What is the InChIKey of N'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide?
The InChIKey is YUWPUXOULNOFDG-VPUKRXIYSA-N. The full InChI is InChI=1S/C24H19BrCl3N3O4/c1-13-17(26)5-4-8-20(13)30-23(32)24(33)31-29-11-14-9-16(25)22(21(10-14)34-2)35-12-15-18(27)6-3-7-19(15)28/h3-11H,12H2,1-2H3,(H,30,32)(H,31,33)/b29-11+.
What are the key properties of N'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide?
N'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide has a molecular weight of 599.70 g/mol, XLogP of 6.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[3-bromo-4-[(2,6-dichlorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]-N-(3-chloro-2-methylphenyl)oxamide is sourced from PubChem (CID 19659955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).