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

C18H18F2N2O3 — CID 7994493

IUPACN-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)N/N=C\c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C18H18F2N2O3/c1-2-13-3-7-15(8-4-13)24-12-17(23)22-21-11-14-5-9-16(10-6-14)25-18(19)20/h3-11,18H,2,12H2,1H3,(H,22,23)/b21-11-
InChIKeyVTVIRFVSEVXEKW-NHDPSOOVSA-N
MW348.35 g/mol
LogP3.38
Rot. Bonds8

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

N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide (PubChem CID 7994493) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
PubChem CID7994493
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC NameN-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
SMILESCCc1ccc(OCC(=O)N/N=C\c2ccc(OC(F)F)cc2)cc1
InChIInChI=1S/C18H18F2N2O3/c1-2-13-3-7-15(8-4-13)24-12-17(23)22-21-11-14-5-9-16(10-6-14)25-18(19)20/h3-11,18H,2,12H2,1H3,(H,22,23)/b21-11-
InChIKeyVTVIRFVSEVXEKW-NHDPSOOVSA-N
XLogP3.38
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.38
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

2-(4-tert-butylphenoxy)-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]acetamide
CID 6141982
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5416713
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2695082
2-(4-ethylphenoxy)-N-[(E)-(4-hexoxyphenyl)methylideneamino]acetamide
CID 19190683
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 9357743
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 136659890
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-phenylacetamide
CID 6874469
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6386184
[4-[(Z)-[[2-(4-ethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 6272283
N-[(E)-(3-bromophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 19189565
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(4-ethylphenoxy)acetamide
CID 5416702

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide (CID 7994493) is N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide is CCc1ccc(OCC(=O)N/N=C\c2ccc(OC(F)F)cc2)cc1.
What is the InChIKey of N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide?
The InChIKey is VTVIRFVSEVXEKW-NHDPSOOVSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c1-2-13-3-7-15(8-4-13)24-12-17(23)22-21-11-14-5-9-16(10-6-14)25-18(19)20/h3-11,18H,2,12H2,1H3,(H,22,23)/b21-11-.
What are the key properties of N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide?
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide has a molecular weight of 348.35 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 7994493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).