N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide

C17H16F2N2O2 — CID 9215678

IUPACN-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N/N=C\c2c(F)cccc2F)cc1
InChIInChI=1S/C17H16F2N2O2/c1-11(2)23-13-8-6-12(7-9-13)17(22)21-20-10-14-15(18)4-3-5-16(14)19/h3-11H,1-2H3,(H,21,22)/b20-10-
InChIKeyGXGICTAYFURVNN-JMIUGGIZSA-N
MW318.32 g/mol
LogP3.52
Rot. Bonds5

About N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide

N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide (PubChem CID 9215678) has the molecular formula C17H16F2N2O2 and a molecular weight of 318.32 g/mol. Its IUPAC name is N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
PubChem CID9215678
Molecular FormulaC17H16F2N2O2
Molecular Weight318.32 g/mol
Exact Mass318.12
IUPAC NameN-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(C(=O)N/N=C\c2c(F)cccc2F)cc1
InChIInChI=1S/C17H16F2N2O2/c1-11(2)23-13-8-6-12(7-9-13)17(22)21-20-10-14-15(18)4-3-5-16(14)19/h3-11H,1-2H3,(H,21,22)/b20-10-
InChIKeyGXGICTAYFURVNN-JMIUGGIZSA-N
XLogP3.52
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 ≤ 53.52
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

1-N,4-N-bis[(2-chloro-6-fluorophenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 3524205
4-fluoro-N-[(Z)-(2-hydroxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 137150543
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215609
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215445
4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509128
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215628
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215270
4-fluoro-N-[(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 841414
4-fluoro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5412153

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide (CID 9215678) is N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide is CC(C)Oc1ccc(C(=O)N/N=C\c2c(F)cccc2F)cc1.
What is the InChIKey of N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide?
The InChIKey is GXGICTAYFURVNN-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H16F2N2O2/c1-11(2)23-13-8-6-12(7-9-13)17(22)21-20-10-14-15(18)4-3-5-16(14)19/h3-11H,1-2H3,(H,21,22)/b20-10-.
What are the key properties of N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide?
N-[(Z)-(2,6-difluorophenyl)methylideneamino]-4-propan-2-yloxybenzamide has a molecular weight of 318.32 g/mol, XLogP of 3.52, 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]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 9215678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).