[3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone

C14H19FN2O — CID 62648575

IUPAC[3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone
SMILESCCCNc1c(F)cccc1C(=O)N1CCCC1
InChIInChI=1S/C14H19FN2O/c1-2-8-16-13-11(6-5-7-12(13)15)14(18)17-9-3-4-10-17/h5-7,16H,2-4,8-10H2,1H3
InChIKeyHULJIXYNRPVDJZ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.88
Rot. Bonds4

About [3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone

[3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 62648575) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is [3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID62648575
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name[3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone
SMILESCCCNc1c(F)cccc1C(=O)N1CCCC1
InChIInChI=1S/C14H19FN2O/c1-2-8-16-13-11(6-5-7-12(13)15)14(18)17-9-3-4-10-17/h5-7,16H,2-4,8-10H2,1H3
InChIKeyHULJIXYNRPVDJZ-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-2-(propylamino)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62650348
[2-(ethylamino)-3-fluorophenyl]-piperidin-1-ylmethanone
CID 62650415
azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone
CID 62650057
[3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 62661412
(3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 106673755
(2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 63219093
[2-(ethylamino)-3-fluorophenyl]-(1,4-thiazepan-4-yl)methanone
CID 62660209
(2,3-dimethylpiperidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 62659970
N-cyclobutyl-3-fluoro-2-(propylamino)benzamide
CID 62662485
[2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162009
[2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62649666
3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013409

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone (CID 62648575) is [3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone is CCCNc1c(F)cccc1C(=O)N1CCCC1.
What is the InChIKey of [3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is HULJIXYNRPVDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-8-16-13-11(6-5-7-12(13)15)14(18)17-9-3-4-10-17/h5-7,16H,2-4,8-10H2,1H3.
What are the key properties of [3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone?
[3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 250.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 62648575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).