N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide

C23H21FN2O3 — CID 97262973

IUPACN-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C23H21FN2O3/c1-28-21-9-5-17(6-10-21)14-23(27)26-25-15-18-7-11-22(12-8-18)29-16-19-3-2-4-20(24)13-19/h2-13,15H,14,16H2,1H3,(H,26,27)/b25-15+
InChIKeyJYSYCZWUUNSUKS-MFKUBSTISA-N
MW392.43 g/mol
LogP4.11
Rot. Bonds8

About N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide

N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide (PubChem CID 97262973) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
PubChem CID97262973
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC NameN-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc(F)c3)cc2)cc1
InChIInChI=1S/C23H21FN2O3/c1-28-21-9-5-17(6-10-21)14-23(27)26-25-15-18-7-11-22(12-8-18)29-16-19-3-2-4-20(24)13-19/h2-13,15H,14,16H2,1H3,(H,26,27)/b25-15+
InChIKeyJYSYCZWUUNSUKS-MFKUBSTISA-N
XLogP4.11
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyphenyl)acetamide
CID 968721
2-(4-methoxyphenoxy)-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6386524
N-[(E)-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126261968
N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 96890733
N-(3-methoxyphenyl)-N'-[[4-[(4-methoxyphenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4317093
4-[[4-[(E)-[[2-(4-fluorophenyl)acetyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126242674
2-(4-fluorophenyl)-N-[(E)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126248647
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methoxybenzamide
CID 1274166
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 21380160
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-2-phenylacetamide
CID 6001372
N-[(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 136618840
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(3-methoxyphenyl)acetamide
CID 135538036

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide (CID 97262973) is N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc(F)c3)cc2)cc1.
What is the InChIKey of N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide?
The InChIKey is JYSYCZWUUNSUKS-MFKUBSTISA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-28-21-9-5-17(6-10-21)14-23(27)26-25-15-18-7-11-22(12-8-18)29-16-19-3-2-4-20(24)13-19/h2-13,15H,14,16H2,1H3,(H,26,27)/b25-15+.
What are the key properties of N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide?
N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide has a molecular weight of 392.43 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 97262973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).