N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide

C17H16F2N2O2 — CID 9315634

IUPACN-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H16F2N2O2/c1-11-5-12(2)7-14(6-11)23-10-17(22)21-20-9-13-3-4-15(18)16(19)8-13/h3-9H,10H2,1-2H3,(H,21,22)/b20-9-
InChIKeyMILWTILWMGVGCV-UKWGHVSLSA-N
MW318.32 g/mol
LogP3.11
Rot. Bonds5

About N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide

N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 9315634) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
PubChem CID9315634
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC NameN-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H16F2N2O2/c1-11-5-12(2)7-14(6-11)23-10-17(22)21-20-9-13-3-4-15(18)16(19)8-13/h3-9H,10H2,1-2H3,(H,21,22)/b20-9-
InChIKeyMILWTILWMGVGCV-UKWGHVSLSA-N
XLogP3.11
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.11
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

2-(4-tert-butylphenoxy)-N-[(E)-(3,4-difluorophenyl)methylideneamino]acetamide
CID 6901833
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 9315633
N-[(Z)-[4-(cyanomethoxy)phenyl]methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 9217503
2-(4-methylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 968437
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316103
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 89119467
N-[(4-hydroxy-3-methylphenyl)methylideneamino]-2-[4-[2-[2-[(4-hydroxy-3-methylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 136506605
2-(4-methylphenoxy)-N-[(Z)-naphthalen-2-ylmethylideneamino]acetamide
CID 5401746
N-[(E)-(4-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 6106681
2-(2-benzylphenoxy)-N-[(Z)-(3,4-difluorophenyl)methylideneamino]acetamide
CID 9359716
2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 71950738
2-(4-methylphenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 968439

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide (CID 9315634) is N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)N/N=C\c2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is MILWTILWMGVGCV-UKWGHVSLSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-11-5-12(2)7-14(6-11)23-10-17(22)21-20-9-13-3-4-15(18)16(19)8-13/h3-9H,10H2,1-2H3,(H,21,22)/b20-9-.
What are the key properties of N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide?
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide has a molecular weight of 318.32 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 9315634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).