N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide

C16H13F3N2O2 — CID 9240501

IUPACN-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1cccc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H13F3N2O2/c1-10(11-5-6-14(18)15(19)7-11)20-21-16(22)9-23-13-4-2-3-12(17)8-13/h2-8H,9H2,1H3,(H,21,22)/b20-10-
InChIKeyNVYGOFRQDHALDN-JMIUGGIZSA-N
MW322.29 g/mol
LogP3.02
Rot. Bonds5

About N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide

N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide (PubChem CID 9240501) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
PubChem CID9240501
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC NameN-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1cccc(F)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H13F3N2O2/c1-10(11-5-6-14(18)15(19)7-11)20-21-16(22)9-23-13-4-2-3-12(17)8-13/h2-8H,9H2,1H3,(H,21,22)/b20-10-
InChIKeyNVYGOFRQDHALDN-JMIUGGIZSA-N
XLogP3.02
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.02
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

N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241816
2-[4-[(Z)-N-[[2-(3-fluorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9240177
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241955
2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
CID 6920998
2-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722
N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9240333
N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 18285959
2-(3-chlorophenoxy)-N-[(E)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 7334037
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
2-(3-fluorophenoxy)-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]acetamide
CID 135557679
2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 2853275
2-(3-bromophenoxy)-N-[1-(4-bromophenyl)ethylideneamino]acetamide
CID 1124773

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide (CID 9240501) is N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide is C/C(=N/NC(=O)COc1cccc(F)c1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide?
The InChIKey is NVYGOFRQDHALDN-JMIUGGIZSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-10(11-5-6-14(18)15(19)7-11)20-21-16(22)9-23-13-4-2-3-12(17)8-13/h2-8H,9H2,1H3,(H,21,22)/b20-10-.
What are the key properties of N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide?
N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide has a molecular weight of 322.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 9240501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).