N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide

C24H21ClFN3O4 — CID 3618515

IUPACN'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NN=C(C)c1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C24H21ClFN3O4/c1-15(28-29-24(31)23(30)27-21-8-3-4-9-22(21)32-2)16-10-12-17(13-11-16)33-14-18-19(25)6-5-7-20(18)26/h3-13H,14H2,1-2H3,(H,27,30)(H,29,31)
InChIKeyXMDIXIMZZJJCON-UHFFFAOYSA-N
MW469.90 g/mol
LogP4.55
Rot. Bonds7

About N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide

N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide (PubChem CID 3618515) has the molecular formula C24H21ClFN3O4 and a molecular weight of 469.90 g/mol. Its IUPAC name is N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide
PubChem CID3618515
Molecular FormulaC24H21ClFN3O4
Molecular Weight469.90 g/mol
Exact Mass469.12
IUPAC NameN'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide
SMILESCOc1ccccc1NC(=O)C(=O)NN=C(C)c1ccc(OCc2c(F)cccc2Cl)cc1
InChIInChI=1S/C24H21ClFN3O4/c1-15(28-29-24(31)23(30)27-21-8-3-4-9-22(21)32-2)16-10-12-17(13-11-16)33-14-18-19(25)6-5-7-20(18)26/h3-13H,14H2,1-2H3,(H,27,30)(H,29,31)
InChIKeyXMDIXIMZZJJCON-UHFFFAOYSA-N
XLogP4.55
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.90
LogP ≤ 54.55
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-chlorophenyl)-N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 19658302
N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide
CID 4126333
N-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19658627
N-(3-chloro-2-methylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 5105677
N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide
CID 19659649
N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]-N-(2,4-dimethylphenyl)oxamide
CID 19659382
N-[2-chloro-5-(trifluoromethyl)phenyl]-N'-[1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 5051458
N-(2-fluorophenyl)-N'-[(E)-1-[4-(naphthalen-1-ylmethoxy)phenyl]ethylideneamino]oxamide
CID 19660575
[2-methoxy-4-[N-[[2-(2-methoxyanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-chlorobenzoate
CID 4168814
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-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19659943
N'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide
CID 19661226

Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide?
The IUPAC name of N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide (CID 3618515) is N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide?
The canonical SMILES for N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide is COc1ccccc1NC(=O)C(=O)NN=C(C)c1ccc(OCc2c(F)cccc2Cl)cc1.
What is the InChIKey of N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide?
The InChIKey is XMDIXIMZZJJCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN3O4/c1-15(28-29-24(31)23(30)27-21-8-3-4-9-22(21)32-2)16-10-12-17(13-11-16)33-14-18-19(25)6-5-7-20(18)26/h3-13H,14H2,1-2H3,(H,27,30)(H,29,31).
What are the key properties of N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide?
N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide has a molecular weight of 469.90 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide is sourced from PubChem (CID 3618515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).