N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide

C22H18F2N2O3 — CID 9316682

IUPACN-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccccc1OC(F)F
InChIInChI=1S/C22H18F2N2O3/c23-22(24)29-20-9-5-4-8-18(20)14-25-26-21(27)15-28-19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-14,22H,15H2,(H,26,27)/b25-14-
InChIKeyUDUMDWOYYNSYCU-QFEZKATASA-N
MW396.39 g/mol
LogP4.48
Rot. Bonds8

About N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide

N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide (PubChem CID 9316682) has the molecular formula C22H18F2N2O3 and a molecular weight of 396.39 g/mol. Its IUPAC name is N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
PubChem CID9316682
Molecular FormulaC22H18F2N2O3
Molecular Weight396.39 g/mol
Exact Mass396.13
IUPAC NameN-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
SMILESO=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccccc1OC(F)F
InChIInChI=1S/C22H18F2N2O3/c23-22(24)29-20-9-5-4-8-18(20)14-25-26-21(27)15-28-19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-14,22H,15H2,(H,26,27)/b25-14-
InChIKeyUDUMDWOYYNSYCU-QFEZKATASA-N
XLogP4.48
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.48
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-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 42991594
2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide
CID 9359679
2-phenoxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5131254
2-[4-(4-cyanophenyl)phenoxy]-N-[(E)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 42992132
2-[2-[[[2-(4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 805205
2-(4-chlorophenoxy)-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]acetamide
CID 9358652
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 9357743
N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide
CID 2383085
N-[(5-bromo-2,4-dihydroxyphenyl)methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 4561292
N-[(E)-(2-bromophenyl)methylideneamino]-2-[4-(4-cyanophenyl)phenoxy]acetamide
CID 42992144
N-[[(Z)-3-(2-chlorophenyl)prop-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
CID 129437635
[2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 5410556

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide (CID 9316682) is N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide is O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccccc1OC(F)F.
What is the InChIKey of N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide?
The InChIKey is UDUMDWOYYNSYCU-QFEZKATASA-N. The full InChI is InChI=1S/C22H18F2N2O3/c23-22(24)29-20-9-5-4-8-18(20)14-25-26-21(27)15-28-19-12-10-17(11-13-19)16-6-2-1-3-7-16/h1-14,22H,15H2,(H,26,27)/b25-14-.
What are the key properties of N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide?
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide has a molecular weight of 396.39 g/mol, XLogP of 4.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 9316682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).