pyrrolidin-1-yl N-[(3-fluoro-5-formyl-4-hydroxyphenyl)methyl]-N-phenylcarbamate

C19H19FN2O4 — CID 175461303

IUPACpyrrolidin-1-yl N-[(3-fluoro-5-formyl-4-hydroxyphenyl)methyl]-N-phenylcarbamate
SMILESO=Cc1cc(CN(C(=O)ON2CCCC2)c2ccccc2)cc(F)c1O
InChIInChI=1S/C19H19FN2O4/c20-17-11-14(10-15(13-23)18(17)24)12-22(16-6-2-1-3-7-16)19(25)26-21-8-4-5-9-21/h1-3,6-7,10-11,13,24H,4-5,8-9,12H2
InChIKeyBEORQZYNLQIURI-UHFFFAOYSA-N
MW358.37 g/mol
LogP3.50
Rot. Bonds5

About pyrrolidin-1-yl N-[(3-fluoro-5-formyl-4-hydroxyphenyl)methyl]-N-phenylcarbamate

pyrrolidin-1-yl N-[(3-fluoro-5-formyl-4-hydroxyphenyl)methyl]-N-phenylcarbamate (PubChem CID 175461303) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is pyrrolidin-1-yl N-[(3-fluoro-5-formyl-4-hydroxyphenyl)methyl]-N-phenylcarbamate.

Molecular Properties

Compound Namepyrrolidin-1-yl N-[(3-fluoro-5-formyl-4-hydroxyphenyl)methyl]-N-phenylcarbamate
PubChem CID175461303
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Namepyrrolidin-1-yl N-[(3-fluoro-5-formyl-4-hydroxyphenyl)methyl]-N-phenylcarbamate
SMILESO=Cc1cc(CN(C(=O)ON2CCCC2)c2ccccc2)cc(F)c1O
InChIInChI=1S/C19H19FN2O4/c20-17-11-14(10-15(13-23)18(17)24)12-22(16-6-2-1-3-7-16)19(25)26-21-8-4-5-9-21/h1-3,6-7,10-11,13,24H,4-5,8-9,12H2
InChIKeyBEORQZYNLQIURI-UHFFFAOYSA-N
XLogP3.50
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl N-[(3-fluoro-5-formyl-4-hydroxyphenyl)methyl]-N-phenylcarbamate?
The IUPAC name of pyrrolidin-1-yl N-[(3-fluoro-5-formyl-4-hydroxyphenyl)methyl]-N-phenylcarbamate (CID 175461303) is pyrrolidin-1-yl N-[(3-fluoro-5-formyl-4-hydroxyphenyl)methyl]-N-phenylcarbamate.
What is the SMILES notation for pyrrolidin-1-yl N-[(3-fluoro-5-formyl-4-hydroxyphenyl)methyl]-N-phenylcarbamate?
The canonical SMILES for pyrrolidin-1-yl N-[(3-fluoro-5-formyl-4-hydroxyphenyl)methyl]-N-phenylcarbamate is O=Cc1cc(CN(C(=O)ON2CCCC2)c2ccccc2)cc(F)c1O.
What is the InChIKey of pyrrolidin-1-yl N-[(3-fluoro-5-formyl-4-hydroxyphenyl)methyl]-N-phenylcarbamate?
The InChIKey is BEORQZYNLQIURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c20-17-11-14(10-15(13-23)18(17)24)12-22(16-6-2-1-3-7-16)19(25)26-21-8-4-5-9-21/h1-3,6-7,10-11,13,24H,4-5,8-9,12H2.
What are the key properties of pyrrolidin-1-yl N-[(3-fluoro-5-formyl-4-hydroxyphenyl)methyl]-N-phenylcarbamate?
pyrrolidin-1-yl N-[(3-fluoro-5-formyl-4-hydroxyphenyl)methyl]-N-phenylcarbamate has a molecular weight of 358.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl N-[(3-fluoro-5-formyl-4-hydroxyphenyl)methyl]-N-phenylcarbamate is sourced from PubChem (CID 175461303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).