N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide

C17H15F3N2O2 — CID 7429040

IUPACN-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide
SMILESC/C(=N/NC(=O)Cc1ccc(F)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C17H15F3N2O2/c1-11(14-4-2-3-5-15(14)24-17(19)20)21-22-16(23)10-12-6-8-13(18)9-7-12/h2-9,17H,10H2,1H3,(H,22,23)/b21-11-
InChIKeyUYKHYCMFHNQEIZ-NHDPSOOVSA-N
MW336.31 g/mol
LogP3.51
Rot. Bonds6

About N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide

N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide (PubChem CID 7429040) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide
PubChem CID7429040
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide
SMILESC/C(=N/NC(=O)Cc1ccc(F)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C17H15F3N2O2/c1-11(14-4-2-3-5-15(14)24-17(19)20)21-22-16(23)10-12-6-8-13(18)9-7-12/h2-9,17H,10H2,1H3,(H,22,23)/b21-11-
InChIKeyUYKHYCMFHNQEIZ-NHDPSOOVSA-N
XLogP3.51
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]urea
CID 9017353
N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-hydroxybenzamide
CID 3390969
[1-[2-(difluoromethoxy)phenyl]ethylideneamino]thiourea
CID 76872298
N-[(Z)-1-(2,5-dichlorophenyl)ethylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428850
2-(4-fluorophenyl)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 40510549
N-[1-[2-(difluoromethoxy)phenyl]ethylideneamino]-1,3-benzodioxole-5-carboxamide
CID 3887231
2-(4-fluorophenyl)-N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]acetamide
CID 135472799
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 3660040
2-(4-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135531709
1-[2-(difluoromethoxy)phenyl]-2-phenylethanone
CID 61079927
4-[(2Z)-2-[1-[2-(difluoromethoxy)phenyl]ethylidene]hydrazinyl]benzoate
CID 8007668
2-(4-fluorophenyl)-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 7428677

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide (CID 7429040) is N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide is C/C(=N/NC(=O)Cc1ccc(F)cc1)c1ccccc1OC(F)F.
What is the InChIKey of N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide?
The InChIKey is UYKHYCMFHNQEIZ-NHDPSOOVSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c1-11(14-4-2-3-5-15(14)24-17(19)20)21-22-16(23)10-12-6-8-13(18)9-7-12/h2-9,17H,10H2,1H3,(H,22,23)/b21-11-.
What are the key properties of N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide?
N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide has a molecular weight of 336.31 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[2-(difluoromethoxy)phenyl]ethylideneamino]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 7429040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).