[2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

C16H20F2N2O — CID 119542477

IUPAC[2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)C2CC2c2cccc(F)c2F)C1
InChIInChI=1S/C16H20F2N2O/c1-19-8-10-5-6-20(9-10)16(21)13-7-12(13)11-3-2-4-14(17)15(11)18/h2-4,10,12-13,19H,5-9H2,1H3
InChIKeyJWJHYUOGYFJZRX-UHFFFAOYSA-N
MW294.34 g/mol
LogP2.14
Rot. Bonds4

About [2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone

[2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (PubChem CID 119542477) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is [2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
PubChem CID119542477
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC Name[2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)C2CC2c2cccc(F)c2F)C1
InChIInChI=1S/C16H20F2N2O/c1-19-8-10-5-6-20(9-10)16(21)13-7-12(13)11-3-2-4-14(17)15(11)18/h2-4,10,12-13,19H,5-9H2,1H3
InChIKeyJWJHYUOGYFJZRX-UHFFFAOYSA-N
XLogP2.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,6-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539938
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125134576
1-[2-(2,3-difluorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119354031
[2-(2,3-difluorophenyl)cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
CID 111459530
[2-(2-chloro-6-fluorophenyl)cyclopropyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546451
[(1R,2R)-2-(3-bromophenyl)cyclopropyl]-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124779684
[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-[(1R,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124779499
[(1R,2S)-2-(2,3-difluorophenyl)cyclopropyl]-[(3R,5R)-3,5-dimethylpiperazin-1-yl]methanone
CID 124590610
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-naphthalen-2-ylcyclopropyl)methanone;hydrochloride
CID 119540877
[2-(3,4-dichlorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119539791
[4-(3-aminopropoxy)piperidin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone
CID 119664731
[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 124735224

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone (CID 119542477) is [2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is CNCC1CCN(C(=O)C2CC2c2cccc(F)c2F)C1.
What is the InChIKey of [2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JWJHYUOGYFJZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-19-8-10-5-6-20(9-10)16(21)13-7-12(13)11-3-2-4-14(17)15(11)18/h2-4,10,12-13,19H,5-9H2,1H3.
What are the key properties of [2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone?
[2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone has a molecular weight of 294.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 119542477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).