4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride

C16H24ClFN2O — CID 119550997

IUPAC4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCC(CCc1ccccc1F)C(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-12(7-8-13-5-3-4-6-15(13)17)16(20)19(2)14-9-10-18-11-14;/h3-6,12,14,18H,7-11H2,1-2H3;1H
InChIKeyQAHLHGZDTWCSDA-UHFFFAOYSA-N
MW314.83 g/mol
LogP2.64
Rot. Bonds5

About 4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride

4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride (PubChem CID 119550997) has the molecular formula C16H24ClFN2O and a molecular weight of 314.83 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
PubChem CID119550997
Molecular FormulaC16H24ClFN2O
Molecular Weight314.83 g/mol
Exact Mass314.16
IUPAC Name4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
SMILESCC(CCc1ccccc1F)C(=O)N(C)C1CCNC1.Cl
InChIInChI=1S/C16H23FN2O.ClH/c1-12(7-8-13-5-3-4-6-15(13)17)16(20)19(2)14-9-10-18-11-14;/h3-6,12,14,18H,7-11H2,1-2H3;1H
InChIKeyQAHLHGZDTWCSDA-UHFFFAOYSA-N
XLogP2.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119552777
3-(2-fluorophenyl)-2-methyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119532764
2-(2-fluorophenyl)sulfanyl-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552845
N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119554555
N-methyl-2-(2-methylphenyl)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119260686
2-(3,4-difluorophenoxy)-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119551631
N-methyl-2-(4-phenylphenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119554556
2-(2-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119553666
N-methyl-2-[(2-phenylacetyl)amino]-N-pyrrolidin-3-ylpentanamide
CID 119550888
2-hydroxy-N-methyl-2-phenyl-N-pyrrolidin-3-ylacetamide
CID 55172570
2,3-difluoro-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554382
4-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbutanamide
CID 111697912

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The IUPAC name of 4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride (CID 119550997) is 4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for 4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for 4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride is CC(CCc1ccccc1F)C(=O)N(C)C1CCNC1.Cl.
What is the InChIKey of 4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
The InChIKey is QAHLHGZDTWCSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O.ClH/c1-12(7-8-13-5-3-4-6-15(13)17)16(20)19(2)14-9-10-18-11-14;/h3-6,12,14,18H,7-11H2,1-2H3;1H.
What are the key properties of 4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride?
4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride has a molecular weight of 314.83 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N,2-dimethyl-N-pyrrolidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119550997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).