[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone

C19H23FN2O3 — CID 71927748

IUPAC[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone
SMILESCC1CN(C(=O)c2ccc(COc3ccccc3F)o2)CC1N(C)C
InChIInChI=1S/C19H23FN2O3/c1-13-10-22(11-16(13)21(2)3)19(23)18-9-8-14(25-18)12-24-17-7-5-4-6-15(17)20/h4-9,13,16H,10-12H2,1-3H3
InChIKeyGBJAPDYRWIMABL-UHFFFAOYSA-N
MW346.40 g/mol
LogP3.02
Rot. Bonds5

About [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone

[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone (PubChem CID 71927748) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone
PubChem CID71927748
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone
SMILESCC1CN(C(=O)c2ccc(COc3ccccc3F)o2)CC1N(C)C
InChIInChI=1S/C19H23FN2O3/c1-13-10-22(11-16(13)21(2)3)19(23)18-9-8-14(25-18)12-24-17-7-5-4-6-15(17)20/h4-9,13,16H,10-12H2,1-3H3
InChIKeyGBJAPDYRWIMABL-UHFFFAOYSA-N
XLogP3.02
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]furan-2-yl]methyl]pyridin-2-one
CID 96513043
[5-[(2-fluorophenoxy)methyl]furan-2-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 51954992
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-(2-methyl-6-phenylmorpholin-4-yl)methanone
CID 47914855
(2R)-4-[5-[(2-fluorophenoxy)methyl]furan-2-carbonyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 51955806
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone
CID 51955546
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 1084341
(3R)-1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidine-3-carboxylic acid
CID 125415613
[1-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 55762699
2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]chromen-4-one
CID 96512747
3,4-dihydro-1H-isoquinolin-2-yl-[5-[(2-methoxyphenoxy)methyl]furan-2-yl]methanone
CID 1084331
1-[3-fluoro-4-[4-[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 55760106
(2,6-dimethylmorpholin-4-yl)-[5-[(2-methoxy-4-propylphenoxy)methyl]furan-2-yl]methanone
CID 25246431

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone?
The IUPAC name of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone (CID 71927748) is [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone?
The canonical SMILES for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone is CC1CN(C(=O)c2ccc(COc3ccccc3F)o2)CC1N(C)C.
What is the InChIKey of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone?
The InChIKey is GBJAPDYRWIMABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-13-10-22(11-16(13)21(2)3)19(23)18-9-8-14(25-18)12-24-17-7-5-4-6-15(17)20/h4-9,13,16H,10-12H2,1-3H3.
What are the key properties of [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone?
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone has a molecular weight of 346.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-methylpyrrolidin-1-yl]-[5-[(2-fluorophenoxy)methyl]furan-2-yl]methanone is sourced from PubChem (CID 71927748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).