N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide

C18H18F2N2O2 — CID 4924840

IUPACN-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NN=Cc1cccc(F)c1F
InChIInChI=1S/C18H18F2N2O2/c1-12(2)14-7-3-4-9-16(14)24-11-17(23)22-21-10-13-6-5-8-15(19)18(13)20/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyXLBCJKPVRBPWGG-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.62
Rot. Bonds6

About N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide

N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 4924840) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID4924840
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC NameN-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NN=Cc1cccc(F)c1F
InChIInChI=1S/C18H18F2N2O2/c1-12(2)14-7-3-4-9-16(14)24-11-17(23)22-21-10-13-6-5-8-15(19)18(13)20/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyXLBCJKPVRBPWGG-UHFFFAOYSA-N
XLogP3.62
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.62
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)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 136914835
N-[(2-chloro-4-fluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 4980769
N-[(4-chlorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922562
N-[(2,3-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4924837
2-(2-propan-2-ylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 922557
N-[(2-hydroxy-4-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 135603998
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 135685669
N-(naphthalen-2-ylmethylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 922560
2-(2-fluorophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135852687
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 6911040
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 922539
2-(2-tert-butylphenoxy)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
CID 19189587

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide (CID 4924840) is N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)NN=Cc1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is XLBCJKPVRBPWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-12(2)14-7-3-4-9-16(14)24-11-17(23)22-21-10-13-6-5-8-15(19)18(13)20/h3-10,12H,11H2,1-2H3,(H,22,23).
What are the key properties of N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide?
N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 332.35 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 4924840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).