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

C18H19FN2O2 — CID 9241816

IUPACN-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1cccc(F)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H19FN2O2/c1-12-7-8-15(9-13(12)2)14(3)20-21-18(22)11-23-17-6-4-5-16(19)10-17/h4-10H,11H2,1-3H3,(H,21,22)/b20-14-
InChIKeyVYGWHQAHBKEVCJ-ZHZULCJRSA-N
MW314.36 g/mol
LogP3.36
Rot. Bonds5

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

N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide (PubChem CID 9241816) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
PubChem CID9241816
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC NameN-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1cccc(F)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H19FN2O2/c1-12-7-8-15(9-13(12)2)14(3)20-21-18(22)11-23-17-6-4-5-16(19)10-17/h4-10H,11H2,1-3H3,(H,21,22)/b20-14-
InChIKeyVYGWHQAHBKEVCJ-ZHZULCJRSA-N
XLogP3.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.36
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-difluorophenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9240501
2-[4-[(Z)-N-[[2-(3-fluorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9240177
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4609255
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9241955
2-(3,4-dimethylphenoxy)-N-(1-phenylethylideneamino)acetamide
CID 71950740
1-(3,4-dimethylphenyl)-2-(3-fluorophenoxy)ethanone
CID 43413436
N-[(Z)-1-(2,5-dimethylthiophen-3-yl)ethylideneamino]-2-(3-fluorophenoxy)acetamide
CID 9240333
2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
2-(3-fluorophenoxy)-N-[(Z)-1-phenylbutylideneamino]acetamide
CID 9242034
N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 18285959
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 969299
2-(2,6-dimethylphenoxy)-N-[1-(4-fluorophenyl)ethylideneamino]acetamide
CID 763872

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide (CID 9241816) is N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide is C/C(=N/NC(=O)COc1cccc(F)c1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide?
The InChIKey is VYGWHQAHBKEVCJ-ZHZULCJRSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-12-7-8-15(9-13(12)2)14(3)20-21-18(22)11-23-17-6-4-5-16(19)10-17/h4-10H,11H2,1-3H3,(H,21,22)/b20-14-.
What are the key properties of N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide?
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide has a molecular weight of 314.36 g/mol, XLogP of 3.36, 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-dimethylphenyl)ethylideneamino]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 9241816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).