N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide

C24H20ClF2N3O4 — CID 4126333

IUPACN'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide
SMILESCOc1cc(C(C)=NNC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C24H20ClF2N3O4/c1-14(29-30-24(32)23(31)28-17-9-7-16(26)8-10-17)15-6-11-21(22(12-15)33-2)34-13-18-19(25)4-3-5-20(18)27/h3-12H,13H2,1-2H3,(H,28,31)(H,30,32)
InChIKeyAJTUDHQQCDGSMG-UHFFFAOYSA-N
MW487.89 g/mol
LogP4.68
Rot. Bonds7

About N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide

N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide (PubChem CID 4126333) has the molecular formula C24H20ClF2N3O4 and a molecular weight of 487.89 g/mol. Its IUPAC name is N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide
PubChem CID4126333
Molecular FormulaC24H20ClF2N3O4
Molecular Weight487.89 g/mol
Exact Mass487.11
IUPAC NameN'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide
SMILESCOc1cc(C(C)=NNC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C24H20ClF2N3O4/c1-14(29-30-24(32)23(31)28-17-9-7-16(26)8-10-17)15-6-11-21(22(12-15)33-2)34-13-18-19(25)4-3-5-20(18)27/h3-12H,13H2,1-2H3,(H,28,31)(H,30,32)
InChIKeyAJTUDHQQCDGSMG-UHFFFAOYSA-N
XLogP4.68
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.89
LogP ≤ 54.68
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-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19658627
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19659943
N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3618515
N-(4-chlorophenyl)-N'-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]oxamide
CID 19661284
N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide
CID 19659649
N-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19658163
N'-[(E)-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-(5-chloro-2-methoxyphenyl)oxamide
CID 19661226
N-(3-chloro-2-methylphenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19659972
N'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 4110074
N-(4-bromophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethylideneamino]oxamide
CID 3676741
N-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 4576577
[4-[(E)-N-[[2-(4-chloroanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 19661211

Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide?
The IUPAC name of N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide (CID 4126333) is N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide.
What is the SMILES notation for N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide?
The canonical SMILES for N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide is COc1cc(C(C)=NNC(=O)C(=O)Nc2ccc(F)cc2)ccc1OCc1c(F)cccc1Cl.
What is the InChIKey of N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide?
The InChIKey is AJTUDHQQCDGSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N3O4/c1-14(29-30-24(32)23(31)28-17-9-7-16(26)8-10-17)15-6-11-21(22(12-15)33-2)34-13-18-19(25)4-3-5-20(18)27/h3-12H,13H2,1-2H3,(H,28,31)(H,30,32).
What are the key properties of N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide?
N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide has a molecular weight of 487.89 g/mol, XLogP of 4.68, 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]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide is sourced from PubChem (CID 4126333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).