[3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

C15H21FN2O2 — CID 62660396

IUPAC[3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCNc1c(F)cccc1C(=O)N1CCCC1CCCO
InChIInChI=1S/C15H21FN2O2/c1-17-14-12(7-2-8-13(14)16)15(20)18-9-3-5-11(18)6-4-10-19/h2,7-8,11,17,19H,3-6,9-10H2,1H3
InChIKeyMIBBGSMSSLDQOC-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.24
Rot. Bonds5

About [3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

[3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (PubChem CID 62660396) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is [3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
PubChem CID62660396
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Name[3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCNc1c(F)cccc1C(=O)N1CCCC1CCCO
InChIInChI=1S/C15H21FN2O2/c1-17-14-12(7-2-8-13(14)16)15(20)18-9-3-5-11(18)6-4-10-19/h2,7-8,11,17,19H,3-6,9-10H2,1H3
InChIKeyMIBBGSMSSLDQOC-UHFFFAOYSA-N
XLogP2.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (CID 62660396) is [3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is CNc1c(F)cccc1C(=O)N1CCCC1CCCO.
What is the InChIKey of [3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The InChIKey is MIBBGSMSSLDQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-17-14-12(7-2-8-13(14)16)15(20)18-9-3-5-11(18)6-4-10-19/h2,7-8,11,17,19H,3-6,9-10H2,1H3.
What are the key properties of [3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
[3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone has a molecular weight of 280.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(methylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62660396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).