3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C14H20ClFN2O — CID 119452340

IUPAC3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCC(Cc1cccc(F)c1)C(=O)NC1CCNC1.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-10(7-11-3-2-4-12(15)8-11)14(18)17-13-5-6-16-9-13;/h2-4,8,10,13,16H,5-7,9H2,1H3,(H,17,18);1H
InChIKeyBSDKNGMOXGEIPW-UHFFFAOYSA-N
MW286.78 g/mol
LogP1.90
Rot. Bonds4

About 3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119452340) has the molecular formula C14H20ClFN2O and a molecular weight of 286.78 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119452340
Molecular FormulaC14H20ClFN2O
Molecular Weight286.78 g/mol
Exact Mass286.12
IUPAC Name3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCC(Cc1cccc(F)c1)C(=O)NC1CCNC1.Cl
InChIInChI=1S/C14H19FN2O.ClH/c1-10(7-11-3-2-4-12(15)8-11)14(18)17-13-5-6-16-9-13;/h2-4,8,10,13,16H,5-7,9H2,1H3,(H,17,18);1H
InChIKeyBSDKNGMOXGEIPW-UHFFFAOYSA-N
XLogP1.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119552777
3-(3-fluorophenyl)-2-methyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]propanamide
CID 48862621
2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 119386828
2-(3-fluorophenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119450905
2-(3-fluorophenyl)-N-piperidin-3-ylacetamide
CID 18071271
3-(3-fluorophenyl)-N,2-dimethyl-N-piperidin-4-ylpropanamide
CID 119443185
2-(3-fluorophenyl)-N-piperidin-3-ylpropanamide
CID 119424683
4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119533848
3-(4-fluorophenyl)sulfonyl-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 119451309
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-2-methylpropan-1-one;hydrochloride
CID 120738432
(2R)-2-[[(2R)-3-(3-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 124887788
(2R)-2-[[(2S)-3-(3-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 124887779

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119452340) is 3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is CC(Cc1cccc(F)c1)C(=O)NC1CCNC1.Cl.
What is the InChIKey of 3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is BSDKNGMOXGEIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O.ClH/c1-10(7-11-3-2-4-12(15)8-11)14(18)17-13-5-6-16-9-13;/h2-4,8,10,13,16H,5-7,9H2,1H3,(H,17,18);1H.
What are the key properties of 3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 286.78 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119452340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).