N-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide

C25H22Cl3N3O4 — CID 19659972

IUPACN-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
SMILESCOc1cc(/C(C)=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H22Cl3N3O4/c1-14-19(27)5-4-6-21(14)29-24(32)25(33)31-30-15(2)16-8-10-22(23(11-16)34-3)35-13-17-7-9-18(26)12-20(17)28/h4-12H,13H2,1-3H3,(H,29,32)(H,31,33)/b30-15+
InChIKeyFPBLAQSOUKOCOW-FJEPWZHXSA-N
MW534.83 g/mol
LogP6.02
Rot. Bonds7

About N-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide

N-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide (PubChem CID 19659972) has the molecular formula C25H22Cl3N3O4 and a molecular weight of 534.83 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
PubChem CID19659972
Molecular FormulaC25H22Cl3N3O4
Molecular Weight534.83 g/mol
Exact Mass533.07
IUPAC NameN-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
SMILESCOc1cc(/C(C)=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C25H22Cl3N3O4/c1-14-19(27)5-4-6-21(14)29-24(32)25(33)31-30-15(2)16-8-10-22(23(11-16)34-3)35-13-17-7-9-18(26)12-20(17)28/h4-12H,13H2,1-3H3,(H,29,32)(H,31,33)/b30-15+
InChIKeyFPBLAQSOUKOCOW-FJEPWZHXSA-N
XLogP6.02
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.83
LogP ≤ 56.02
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-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19658163
N-(2,5-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethylideneamino]oxamide
CID 4097302
N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide
CID 19659649
N'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 4110074
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19659943
N-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19658627
N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide
CID 4126333
[2-methoxy-4-[N-[[2-(2-methoxyanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-chlorobenzoate
CID 4168814
N-(4-bromo-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19658779
N-(4-chlorophenyl)-N'-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]oxamide
CID 19661284
[4-[N-[[2-(5-chloro-2-methoxyanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenyl] 4-methylbenzoate
CID 3599300
N-(4-bromo-2-fluorophenyl)-N'-[(E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19660559

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide (CID 19659972) is N-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide is COc1cc(/C(C)=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide?
The InChIKey is FPBLAQSOUKOCOW-FJEPWZHXSA-N. The full InChI is InChI=1S/C25H22Cl3N3O4/c1-14-19(27)5-4-6-21(14)29-24(32)25(33)31-30-15(2)16-8-10-22(23(11-16)34-3)35-13-17-7-9-18(26)12-20(17)28/h4-12H,13H2,1-3H3,(H,29,32)(H,31,33)/b30-15+.
What are the key properties of N-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide?
N-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide has a molecular weight of 534.83 g/mol, XLogP of 6.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide is sourced from PubChem (CID 19659972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).