(2-chloro-4-fluorophenyl)-[4-hydroxy-2-(oxan-3-yl)pyrrolidin-1-yl]methanone

C16H19ClFNO3 — CID 154760110

IUPAC(2-chloro-4-fluorophenyl)-[4-hydroxy-2-(oxan-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CC(O)CC1C1CCCOC1
InChIInChI=1S/C16H19ClFNO3/c17-14-6-11(18)3-4-13(14)16(21)19-8-12(20)7-15(19)10-2-1-5-22-9-10/h3-4,6,10,12,15,20H,1-2,5,7-9H2
InChIKeyHSPNBXXSMZXXJH-UHFFFAOYSA-N
MW327.78 g/mol
LogP2.48
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-[4-hydroxy-2-(oxan-3-yl)pyrrolidin-1-yl]methanone

(2-chloro-4-fluorophenyl)-[4-hydroxy-2-(oxan-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 154760110) has the molecular formula C16H19ClFNO3 and a molecular weight of 327.78 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[4-hydroxy-2-(oxan-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[4-hydroxy-2-(oxan-3-yl)pyrrolidin-1-yl]methanone
PubChem CID154760110
Molecular FormulaC16H19ClFNO3
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC Name(2-chloro-4-fluorophenyl)-[4-hydroxy-2-(oxan-3-yl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CC(O)CC1C1CCCOC1
InChIInChI=1S/C16H19ClFNO3/c17-14-6-11(18)3-4-13(14)16(21)19-8-12(20)7-15(19)10-2-1-5-22-9-10/h3-4,6,10,12,15,20H,1-2,5,7-9H2
InChIKeyHSPNBXXSMZXXJH-UHFFFAOYSA-N
XLogP2.48
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16774023
(2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
CID 97040195
(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 93032513
(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558
(2-chloro-4-fluorophenyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122272792
[1-(2-chloro-4-fluorobenzoyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51329356
(2-chloro-4-fluorophenyl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97196154
[2-(bromomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 80658555
2-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61371047
(2-chloro-4-fluorophenyl)-(2-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63256766
(2-chloro-4-fluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120573234
(1R,5R)-6-(2-chloro-4-fluorobenzoyl)-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72941067

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[4-hydroxy-2-(oxan-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[4-hydroxy-2-(oxan-3-yl)pyrrolidin-1-yl]methanone (CID 154760110) is (2-chloro-4-fluorophenyl)-[4-hydroxy-2-(oxan-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[4-hydroxy-2-(oxan-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[4-hydroxy-2-(oxan-3-yl)pyrrolidin-1-yl]methanone is O=C(c1ccc(F)cc1Cl)N1CC(O)CC1C1CCCOC1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[4-hydroxy-2-(oxan-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is HSPNBXXSMZXXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO3/c17-14-6-11(18)3-4-13(14)16(21)19-8-12(20)7-15(19)10-2-1-5-22-9-10/h3-4,6,10,12,15,20H,1-2,5,7-9H2.
What are the key properties of (2-chloro-4-fluorophenyl)-[4-hydroxy-2-(oxan-3-yl)pyrrolidin-1-yl]methanone?
(2-chloro-4-fluorophenyl)-[4-hydroxy-2-(oxan-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 327.78 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[4-hydroxy-2-(oxan-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 154760110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).