N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide

C23H20F2N2O4 — CID 2383085

IUPACN-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide
SMILESO=C(NN=Cc1ccccc1OC(F)F)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C23H20F2N2O4/c24-23(25)31-20-12-6-4-8-17(20)16-26-27-22(28)19-11-5-7-13-21(19)30-15-14-29-18-9-2-1-3-10-18/h1-13,16,23H,14-15H2,(H,27,28)
InChIKeyRQIUSVDQQUPZPU-UHFFFAOYSA-N
MW426.42 g/mol
LogP4.51
Rot. Bonds10

About N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide

N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide (PubChem CID 2383085) has the molecular formula C23H20F2N2O4 and a molecular weight of 426.42 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide
PubChem CID2383085
Molecular FormulaC23H20F2N2O4
Molecular Weight426.42 g/mol
Exact Mass426.14
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide
SMILESO=C(NN=Cc1ccccc1OC(F)F)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C23H20F2N2O4/c24-23(25)31-20-12-6-4-8-17(20)16-26-27-22(28)19-11-5-7-13-21(19)30-15-14-29-18-9-2-1-3-10-18/h1-13,16,23H,14-15H2,(H,27,28)
InChIKeyRQIUSVDQQUPZPU-UHFFFAOYSA-N
XLogP4.51
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(cinnamylideneamino)-2-(2-phenoxyethoxy)benzamide
CID 6817822
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(4-phenylphenoxy)acetamide
CID 9316682
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 2691883
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-1H-indole-3-carboxamide
CID 42991298
N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2594194
N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 54788819
N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 2593226
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-ethoxyphenoxy)acetamide
CID 42991594
N-[[2-[3-(3-methoxyphenoxy)propoxy]phenyl]methylideneamino]benzamide
CID 3660325
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 9077721
2-(2-benzylphenoxy)-N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]acetamide
CID 9359679

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide (CID 2383085) is N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide is O=C(NN=Cc1ccccc1OC(F)F)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide?
The InChIKey is RQIUSVDQQUPZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O4/c24-23(25)31-20-12-6-4-8-17(20)16-26-27-22(28)19-11-5-7-13-21(19)30-15-14-29-18-9-2-1-3-10-18/h1-13,16,23H,14-15H2,(H,27,28).
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide?
N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide has a molecular weight of 426.42 g/mol, XLogP of 4.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methylideneamino]-2-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 2383085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).