[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone

C17H19FN2O — CID 136515250

IUPAC[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCC2Cc2cccc(F)c2)c1
InChIInChI=1S/C17H19FN2O/c1-19-9-7-14(12-19)17(21)20-8-3-6-16(20)11-13-4-2-5-15(18)10-13/h2,4-5,7,9-10,12,16H,3,6,8,11H2,1H3
InChIKeyCNFCNYSCJYTHDV-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.01
Rot. Bonds3

About [2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone

[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone (PubChem CID 136515250) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is [2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone
PubChem CID136515250
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCCC2Cc2cccc(F)c2)c1
InChIInChI=1S/C17H19FN2O/c1-19-9-7-14(12-19)17(21)20-8-3-6-16(20)11-13-4-2-5-15(18)10-13/h2,4-5,7,9-10,12,16H,3,6,8,11H2,1H3
InChIKeyCNFCNYSCJYTHDV-UHFFFAOYSA-N
XLogP3.01
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 55805326
2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119296824
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 71880144
6-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 94106743
(3-ethyl-1-methylpyrazol-5-yl)-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]methanone
CID 136558207
[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 99796063
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 55805135
4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 120560785
3-fluoro-N-[5-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 55877832
N-[[4-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]methyl]adamantane-1-carboxamide
CID 55805138
3-[[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122019188
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120624041

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The IUPAC name of [2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone (CID 136515250) is [2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone.
What is the SMILES notation for [2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The canonical SMILES for [2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone is Cn1ccc(C(=O)N2CCCC2Cc2cccc(F)c2)c1.
What is the InChIKey of [2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The InChIKey is CNFCNYSCJYTHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-19-9-7-14(12-19)17(21)20-8-3-6-16(20)11-13-4-2-5-15(18)10-13/h2,4-5,7,9-10,12,16H,3,6,8,11H2,1H3.
What are the key properties of [2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone?
[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone has a molecular weight of 286.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(1-methylpyrrol-3-yl)methanone is sourced from PubChem (CID 136515250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).