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

C16H23FN2O — CID 63219093

IUPAC(2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
SMILESCCCNc1c(F)cccc1C(=O)N1CCCC1(C)C
InChIInChI=1S/C16H23FN2O/c1-4-10-18-14-12(7-5-8-13(14)17)15(20)19-11-6-9-16(19,2)3/h5,7-8,18H,4,6,9-11H2,1-3H3
InChIKeyIBMBMJZGBMZMNO-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.66
Rot. Bonds4

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

(2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone (PubChem CID 63219093) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
PubChem CID63219093
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
SMILESCCCNc1c(F)cccc1C(=O)N1CCCC1(C)C
InChIInChI=1S/C16H23FN2O/c1-4-10-18-14-12(7-5-8-13(14)17)15(20)19-11-6-9-16(19,2)3/h5,7-8,18H,4,6,9-11H2,1-3H3
InChIKeyIBMBMJZGBMZMNO-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 62648575
[3-fluoro-2-(propylamino)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62650348
(3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 106673755
3-fluoro-N-(1-methylcyclohexyl)-2-(propylamino)benzamide
CID 63499533
[3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 62661412
(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
azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone
CID 62650057
[2-(ethylamino)-3-fluorophenyl]-piperidin-1-ylmethanone
CID 62650415
(2,2-dimethylpyrrolidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 63217932
(2,2-dimethylpyrrolidin-1-yl)-(2-hydrazinylphenyl)methanone
CID 63218887

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone (CID 63219093) is (2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone is CCCNc1c(F)cccc1C(=O)N1CCCC1(C)C.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone?
The InChIKey is IBMBMJZGBMZMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-4-10-18-14-12(7-5-8-13(14)17)15(20)19-11-6-9-16(19,2)3/h5,7-8,18H,4,6,9-11H2,1-3H3.
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone?
(2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone has a molecular weight of 278.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone is sourced from PubChem (CID 63219093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).