N-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]-4-hydroxybenzamide

C19H20FN3O2 — CID 9072794

IUPACN-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]-4-hydroxybenzamide
SMILESC/C(=N/NC(=O)c1ccc(O)cc1)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C19H20FN3O2/c1-13(21-22-19(25)14-4-7-16(24)8-5-14)15-6-9-18(17(20)12-15)23-10-2-3-11-23/h4-9,12,24H,2-3,10-11H2,1H3,(H,22,25)/b21-13-
InChIKeyIYPQQBQEHAOQSO-BKUYFWCQSA-N
MW341.39 g/mol
LogP3.29
Rot. Bonds4

About N-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]-4-hydroxybenzamide

N-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]-4-hydroxybenzamide (PubChem CID 9072794) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]-4-hydroxybenzamide
PubChem CID9072794
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]-4-hydroxybenzamide
SMILESC/C(=N/NC(=O)c1ccc(O)cc1)c1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C19H20FN3O2/c1-13(21-22-19(25)14-4-7-16(24)8-5-14)15-6-9-18(17(20)12-15)23-10-2-3-11-23/h4-9,12,24H,2-3,10-11H2,1H3,(H,22,25)/b21-13-
InChIKeyIYPQQBQEHAOQSO-BKUYFWCQSA-N
XLogP3.29
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.29
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]-4-hydroxybenzamide (CID 9072794) is N-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]-4-hydroxybenzamide is C/C(=N/NC(=O)c1ccc(O)cc1)c1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of N-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]-4-hydroxybenzamide?
The InChIKey is IYPQQBQEHAOQSO-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13(21-22-19(25)14-4-7-16(24)8-5-14)15-6-9-18(17(20)12-15)23-10-2-3-11-23/h4-9,12,24H,2-3,10-11H2,1H3,(H,22,25)/b21-13-.
What are the key properties of N-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]-4-hydroxybenzamide?
N-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]-4-hydroxybenzamide has a molecular weight of 341.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 9072794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).