3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide

C17H25FN2O — CID 119532764

IUPAC3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)C(C)Cc1ccccc1F)C1CCNC1
InChIInChI=1S/C17H25FN2O/c1-3-10-20(15-8-9-19-12-15)17(21)13(2)11-14-6-4-5-7-16(14)18/h4-7,13,15,19H,3,8-12H2,1-2H3
InChIKeyJTRQVLAYWSTSDK-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.60
Rot. Bonds6

About 3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide

3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide (PubChem CID 119532764) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
PubChem CID119532764
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
SMILESCCCN(C(=O)C(C)Cc1ccccc1F)C1CCNC1
InChIInChI=1S/C17H25FN2O/c1-3-10-20(15-8-9-19-12-15)17(21)13(2)11-14-6-4-5-7-16(14)18/h4-7,13,15,19H,3,8-12H2,1-2H3
InChIKeyJTRQVLAYWSTSDK-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799977
3-(4-fluorophenyl)sulfanyl-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530613
2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530888
4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119550997
2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 120607586
2-methyl-N-piperidin-4-yl-N-propyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 119823787
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530341
2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531842
3-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 62367590
N-(2-amino-2-oxoethyl)-2-(2-fluorophenyl)-N-pyrrolidin-3-ylacetamide
CID 60806860
N-propyl-2-pyridin-3-yl-N-pyrrolidin-3-ylpropanamide
CID 119530488

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide (CID 119532764) is 3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide is CCCN(C(=O)C(C)Cc1ccccc1F)C1CCNC1.
What is the InChIKey of 3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide?
The InChIKey is JTRQVLAYWSTSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-3-10-20(15-8-9-19-12-15)17(21)13(2)11-14-6-4-5-7-16(14)18/h4-7,13,15,19H,3,8-12H2,1-2H3.
What are the key properties of 3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide?
3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide has a molecular weight of 292.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119532764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).