N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide

C17H14FN3O2 — CID 9016760

IUPACN-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide
SMILESC/C(=N/NC(=O)c1ccc(F)cc1)c1ccc(OCC#N)cc1
InChIInChI=1S/C17H14FN3O2/c1-12(13-4-8-16(9-5-13)23-11-10-19)20-21-17(22)14-2-6-15(18)7-3-14/h2-9H,11H2,1H3,(H,21,22)/b20-12-
InChIKeyYOCKGHHYOZLFDI-NDENLUEZSA-N
MW311.32 g/mol
LogP2.88
Rot. Bonds5

About N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide

N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide (PubChem CID 9016760) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide
PubChem CID9016760
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC NameN-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide
SMILESC/C(=N/NC(=O)c1ccc(F)cc1)c1ccc(OCC#N)cc1
InChIInChI=1S/C17H14FN3O2/c1-12(13-4-8-16(9-5-13)23-11-10-19)20-21-17(22)14-2-6-15(18)7-3-14/h2-9H,11H2,1H3,(H,21,22)/b20-12-
InChIKeyYOCKGHHYOZLFDI-NDENLUEZSA-N
XLogP2.88
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide
CID 9175311
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide
CID 9016411
N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169937
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-4-fluorobenzamide
CID 6183873
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
N-[(E)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 172923750
N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide
CID 6232405
N-[1-(4-hydroxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925771
N-[1-(4-methoxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925777
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide?
The IUPAC name of N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide (CID 9016760) is N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide.
What is the SMILES notation for N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide?
The canonical SMILES for N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide is C/C(=N/NC(=O)c1ccc(F)cc1)c1ccc(OCC#N)cc1.
What is the InChIKey of N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide?
The InChIKey is YOCKGHHYOZLFDI-NDENLUEZSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-12(13-4-8-16(9-5-13)23-11-10-19)20-21-17(22)14-2-6-15(18)7-3-14/h2-9H,11H2,1H3,(H,21,22)/b20-12-.
What are the key properties of N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide?
N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide has a molecular weight of 311.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide is sourced from PubChem (CID 9016760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).