4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid

C19H19FN2O2 — CID 4202846

IUPAC4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid
SMILESCc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(C(=O)O)cc1
InChIInChI=1S/C19H19FN2O2/c1-13-10-18(22-8-2-3-9-22)17(20)11-15(13)12-21-16-6-4-14(5-7-16)19(23)24/h4-7,10-12H,2-3,8-9H2,1H3,(H,23,24)/b21-12+
InChIKeyFHMRUWAXVAYRDH-CIAFOILYSA-N
MW326.37 g/mol
LogP4.18
Rot. Bonds4

About 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid

4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid (PubChem CID 4202846) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid.

Molecular Properties

Compound Name4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid
PubChem CID4202846
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid
SMILESCc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(C(=O)O)cc1
InChIInChI=1S/C19H19FN2O2/c1-13-10-18(22-8-2-3-9-22)17(20)11-15(13)12-21-16-6-4-14(5-7-16)19(23)24/h4-7,10-12H,2-3,8-9H2,1H3,(H,23,24)/b21-12+
InChIKeyFHMRUWAXVAYRDH-CIAFOILYSA-N
XLogP4.18
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]phenol
CID 4654883
N-(4-chlorophenyl)-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine
CID 4589321
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine
CID 5031665
N-[(Z)-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 6154296
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]acetamide
CID 3313701
(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)-phenylmethanone
CID 822330
N-[4-(2-chlorophenoxy)phenyl]-1-(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methanimine
CID 3612589
5-fluoro-2-methyl-4-pyrrolidin-1-ylbenzaldehyde
CID 974356
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 4620646
2-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]guanidine
CID 168591057
N-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]aniline
CID 3899831
3-fluoro-4-pyrrolidin-1-ylbenzoic acid
CID 28604177

Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid?
The IUPAC name of 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid (CID 4202846) is 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid.
What is the SMILES notation for 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid?
The canonical SMILES for 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid is Cc1cc(N2CCCC2)c(F)cc1/C=N/c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid?
The InChIKey is FHMRUWAXVAYRDH-CIAFOILYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-13-10-18(22-8-2-3-9-22)17(20)11-15(13)12-21-16-6-4-14(5-7-16)19(23)24/h4-7,10-12H,2-3,8-9H2,1H3,(H,23,24)/b21-12+.
What are the key properties of 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid?
4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid has a molecular weight of 326.37 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-2-methyl-4-pyrrolidin-1-ylphenyl)methylideneamino]benzoic acid is sourced from PubChem (CID 4202846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).