(3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone

C14H19FN2O3 — CID 106673755

IUPAC(3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
SMILESCCCNc1c(F)cccc1C(=O)N1CC(O)C(O)C1
InChIInChI=1S/C14H19FN2O3/c1-2-6-16-13-9(4-3-5-10(13)15)14(20)17-7-11(18)12(19)8-17/h3-5,11-12,16,18-19H,2,6-8H2,1H3
InChIKeyQEBSZUSOQCONEV-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.83
Rot. Bonds4

About (3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone

(3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone (PubChem CID 106673755) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone.

Molecular Properties

Compound Name(3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
PubChem CID106673755
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name(3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
SMILESCCCNc1c(F)cccc1C(=O)N1CC(O)C(O)C1
InChIInChI=1S/C14H19FN2O3/c1-2-6-16-13-9(4-3-5-10(13)15)14(20)17-7-11(18)12(19)8-17/h3-5,11-12,16,18-19H,2,6-8H2,1H3
InChIKeyQEBSZUSOQCONEV-UHFFFAOYSA-N
XLogP0.83
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 62648575
[3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 62661412
[3-fluoro-2-(propylamino)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62650348
(2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 62659970
(2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 63219093
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485
azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone
CID 62650057
[2-(ethylamino)-3-fluorophenyl]-piperidin-1-ylmethanone
CID 62650415
[3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-3-fluorophenyl]methanone
CID 63174935
2,6-difluoro-N-propylaniline
CID 21161523
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693
3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide
CID 62649253

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone?
The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone (CID 106673755) is (3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone.
What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone?
The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone is CCCNc1c(F)cccc1C(=O)N1CC(O)C(O)C1.
What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone?
The InChIKey is QEBSZUSOQCONEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-2-6-16-13-9(4-3-5-10(13)15)14(20)17-7-11(18)12(19)8-17/h3-5,11-12,16,18-19H,2,6-8H2,1H3.
What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone?
(3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone has a molecular weight of 282.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone is sourced from PubChem (CID 106673755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).