3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride

C15H22ClFN2O — CID 119552777

IUPAC3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCC(Cc1cccc(F)c1)C(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C15H21FN2O.ClH/c1-11(8-12-4-3-5-13(16)9-12)15(19)18(2)14-6-7-17-10-14;/h3-5,9,11,14,17H,6-8,10H2,1-2H3;1H
InChIKeyDRMMGCWPYXYDOL-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.25
Rot. Bonds4

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

3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (PubChem CID 119552777) has the molecular formula C15H22ClFN2O and a molecular weight of 300.81 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
PubChem CID119552777
Molecular FormulaC15H22ClFN2O
Molecular Weight300.81 g/mol
Exact Mass300.14
IUPAC Name3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
SMILESCC(Cc1cccc(F)c1)C(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C15H21FN2O.ClH/c1-11(8-12-4-3-5-13(16)9-12)15(19)18(2)14-6-7-17-10-14;/h3-5,9,11,14,17H,6-8,10H2,1-2H3;1H
InChIKeyDRMMGCWPYXYDOL-UHFFFAOYSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 119443185
3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119452340
4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119550997
3-fluoro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 60805996
N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119550376
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119553639
4-(3-fluorophenyl)-2-methyl-N-(2-pyrrolidin-3-ylethyl)butanamide;hydrochloride
CID 119533848
2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119554353
2-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide
CID 119550385
N-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide
CID 119550888
2-hydroxy-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 55172570
2-(diethylamino)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119551607

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The IUPAC name of 3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride (CID 119552777) is 3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is CC(Cc1cccc(F)c1)C(=O)N(C)C1CCNC1.Cl.
What is the InChIKey of 3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
The InChIKey is DRMMGCWPYXYDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O.ClH/c1-11(8-12-4-3-5-13(16)9-12)15(19)18(2)14-6-7-17-10-14;/h3-5,9,11,14,17H,6-8,10H2,1-2H3;1H.
What are the key properties of 3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride?
3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride has a molecular weight of 300.81 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride is sourced from PubChem (CID 119552777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).