N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide

C17H16F2N2O2 — CID 9315633

IUPACN-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)N/N=C\c2c(F)cccc2F)c1
InChIInChI=1S/C17H16F2N2O2/c1-11-6-12(2)8-13(7-11)23-10-17(22)21-20-9-14-15(18)4-3-5-16(14)19/h3-9H,10H2,1-2H3,(H,21,22)/b20-9-
InChIKeyWOTJPFHQNRHCMU-UKWGHVSLSA-N
MW318.32 g/mol
LogP3.11
Rot. Bonds5

About N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide

N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide (PubChem CID 9315633) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
PubChem CID9315633
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC NameN-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
SMILESCc1cc(C)cc(OCC(=O)N/N=C\c2c(F)cccc2F)c1
InChIInChI=1S/C17H16F2N2O2/c1-11-6-12(2)8-13(7-11)23-10-17(22)21-20-9-14-15(18)4-3-5-16(14)19/h3-9H,10H2,1-2H3,(H,21,22)/b20-9-
InChIKeyWOTJPFHQNRHCMU-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

N-[(E)-(2,6-difluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6899366
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide
CID 9315634
2-(4-bromophenoxy)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]acetamide
CID 9359053
2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 968480
2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5331243
N-[(2-chloro-6-fluorophenyl)methylideneamino]-2-(4-chlorophenoxy)acetamide
CID 2695109
N-(2,6-difluorophenyl)-2-(3,5-dimethylphenoxy)acetamide
CID 21368263
2-(4-tert-butylphenoxy)-N-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]acetamide
CID 5450012
2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6910990
2-(3,5-dimethylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966519
2-(3,5-dimethylphenoxy)-N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135614054
2-(3,5-dimethylphenoxy)-N-[(Z)-[3-hydroxy-2-(4-methylphenyl)-1-oxoisoquinolin-4-yl]methylideneamino]acetamide
CID 137269223

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide (CID 9315633) is N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide is Cc1cc(C)cc(OCC(=O)N/N=C\c2c(F)cccc2F)c1.
What is the InChIKey of N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide?
The InChIKey is WOTJPFHQNRHCMU-UKWGHVSLSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-11-6-12(2)8-13(7-11)23-10-17(22)21-20-9-14-15(18)4-3-5-16(14)19/h3-9H,10H2,1-2H3,(H,21,22)/b20-9-.
What are the key properties of N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide?
N-[(Z)-(2,6-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)-(2,6-difluorophenyl)methylideneamino]-2-(3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 9315633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).