(5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone

C13H17FN2O2 — CID 107210704

IUPAC(5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)c2cc(N)ccc2F)C1
InChIInChI=1S/C13H17FN2O2/c1-2-5-13(18)7-16(8-13)12(17)10-6-9(15)3-4-11(10)14/h3-4,6,18H,2,5,7-8,15H2,1H3
InChIKeyQKPIZHOXFPHYQN-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.39
Rot. Bonds3

About (5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone

(5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone (PubChem CID 107210704) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is (5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
PubChem CID107210704
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name(5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
SMILESCCCC1(O)CN(C(=O)c2cc(N)ccc2F)C1
InChIInChI=1S/C13H17FN2O2/c1-2-5-13(18)7-16(8-13)12(17)10-6-9(15)3-4-11(10)14/h3-4,6,18H,2,5,7-8,15H2,1H3
InChIKeyQKPIZHOXFPHYQN-UHFFFAOYSA-N
XLogP1.39
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210518
(2-aminophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107210754
(5-amino-2-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355036
(5-amino-2-fluorophenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 63157430
(2-fluoro-4-methoxyphenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 102883842
(5-amino-2-chlorophenyl)-(3-ethyl-3-hydroxyazetidin-1-yl)methanone
CID 107210632
[2-(2-aminoethyl)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219935
(5-amino-2-fluorophenyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79188191
(4-amino-3-bromophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107219981
[2-(ethylamino)phenyl]-(3-hydroxy-3-propylazetidin-1-yl)methanone
CID 107223818
(3-hydroxy-3-propylazetidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 107223814
(5-amino-2-fluorophenyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62938056

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The IUPAC name of (5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone (CID 107210704) is (5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The canonical SMILES for (5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone is CCCC1(O)CN(C(=O)c2cc(N)ccc2F)C1.
What is the InChIKey of (5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
The InChIKey is QKPIZHOXFPHYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-2-5-13(18)7-16(8-13)12(17)10-6-9(15)3-4-11(10)14/h3-4,6,18H,2,5,7-8,15H2,1H3.
What are the key properties of (5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone?
(5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone has a molecular weight of 252.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluorophenyl)-(3-hydroxy-3-propylazetidin-1-yl)methanone is sourced from PubChem (CID 107210704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).