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

C26H24ClFN4O5 — CID 19658627

IUPACN-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
SMILESCOc1cc(/C(C)=N/NC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C26H24ClFN4O5/c1-15(31-32-26(35)25(34)30-19-10-8-18(9-11-19)29-16(2)33)17-7-12-23(24(13-17)36-3)37-14-20-21(27)5-4-6-22(20)28/h4-13H,14H2,1-3H3,(H,29,33)(H,30,34)(H,32,35)/b31-15+
InChIKeyMKDNLOVFOZREKV-IBBHUPRXSA-N
MW526.95 g/mol
LogP4.50
Rot. Bonds8

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

N-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide (PubChem CID 19658627) has the molecular formula C26H24ClFN4O5 and a molecular weight of 526.95 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
PubChem CID19658627
Molecular FormulaC26H24ClFN4O5
Molecular Weight526.95 g/mol
Exact Mass526.14
IUPAC NameN-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
SMILESCOc1cc(/C(C)=N/NC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1c(F)cccc1Cl
InChIInChI=1S/C26H24ClFN4O5/c1-15(31-32-26(35)25(34)30-19-10-8-18(9-11-19)29-16(2)33)17-7-12-23(24(13-17)36-3)37-14-20-21(27)5-4-6-22(20)28/h4-13H,14H2,1-3H3,(H,29,33)(H,30,34)(H,32,35)/b31-15+
InChIKeyMKDNLOVFOZREKV-IBBHUPRXSA-N
XLogP4.50
TPSA118.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.95
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

Analyze N-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(4-fluorophenyl)oxamide
CID 4126333
N-(3-chloro-4-methylphenyl)-N'-[(E)-1-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19659943
N-(4-chlorophenyl)-N'-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]oxamide
CID 19661284
N'-[1-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide
CID 3618515
N-(2,3-dichlorophenyl)-N'-[(E)-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 19658163
N'-[(E)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2-methoxyphenyl)oxamide
CID 19659649
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
[4-[(E)-N-[[2-(4-chloroanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 19661211
N-(4-carbamoylphenyl)-N'-[1-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]ethylideneamino]oxamide
CID 3523967

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide?
The IUPAC name of N-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide (CID 19658627) is N-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide?
The canonical SMILES for N-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide is COc1cc(/C(C)=N/NC(=O)C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1c(F)cccc1Cl.
What is the InChIKey of N-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide?
The InChIKey is MKDNLOVFOZREKV-IBBHUPRXSA-N. The full InChI is InChI=1S/C26H24ClFN4O5/c1-15(31-32-26(35)25(34)30-19-10-8-18(9-11-19)29-16(2)33)17-7-12-23(24(13-17)36-3)37-14-20-21(27)5-4-6-22(20)28/h4-13H,14H2,1-3H3,(H,29,33)(H,30,34)(H,32,35)/b31-15+.
What are the key properties of N-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide?
N-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide has a molecular weight of 526.95 g/mol, XLogP of 4.50, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-N'-[(E)-1-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide is sourced from PubChem (CID 19658627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).