N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-hydroxybenzamide

C19H20FN3O2 — CID 3331546

IUPACN-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-hydroxybenzamide
SMILESCc1cc(N2CCCC2)c(F)cc1C=NNC(=O)c1ccc(O)cc1
InChIInChI=1S/C19H20FN3O2/c1-13-10-18(23-8-2-3-9-23)17(20)11-15(13)12-21-22-19(25)14-4-6-16(24)7-5-14/h4-7,10-12,24H,2-3,8-9H2,1H3,(H,22,25)
InChIKeyOJMDQGQPTDSRFR-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.20
Rot. Bonds4

About N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-hydroxybenzamide

N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-hydroxybenzamide (PubChem CID 3331546) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-hydroxybenzamide
PubChem CID3331546
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-hydroxybenzamide
SMILESCc1cc(N2CCCC2)c(F)cc1C=NNC(=O)c1ccc(O)cc1
InChIInChI=1S/C19H20FN3O2/c1-13-10-18(23-8-2-3-9-23)17(20)11-15(13)12-21-22-19(25)14-4-6-16(24)7-5-14/h4-7,10-12,24H,2-3,8-9H2,1H3,(H,22,25)
InChIKeyOJMDQGQPTDSRFR-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
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-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-hydroxybenzamide (CID 3331546) is N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-hydroxybenzamide is Cc1cc(N2CCCC2)c(F)cc1C=NNC(=O)c1ccc(O)cc1.
What is the InChIKey of N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-hydroxybenzamide?
The InChIKey is OJMDQGQPTDSRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13-10-18(23-8-2-3-9-23)17(20)11-15(13)12-21-22-19(25)14-4-6-16(24)7-5-14/h4-7,10-12,24H,2-3,8-9H2,1H3,(H,22,25).
What are the key properties of N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-hydroxybenzamide?
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-hydroxybenzamide has a molecular weight of 341.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 3331546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).