N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C17H26ClFN2O — CID 119724717

IUPACN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(C)(C)C(NC(=O)CC1CCCN1)c1ccc(F)cc1.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-17(2,3)16(12-6-8-13(18)9-7-12)20-15(21)11-14-5-4-10-19-14;/h6-9,14,16,19H,4-5,10-11H2,1-3H3,(H,20,21);1H
InChIKeyXBOHKFSUVHSRHP-UHFFFAOYSA-N
MW328.86 g/mol
LogP3.59
Rot. Bonds4

About N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119724717) has the molecular formula C17H26ClFN2O and a molecular weight of 328.86 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119724717
Molecular FormulaC17H26ClFN2O
Molecular Weight328.86 g/mol
Exact Mass328.17
IUPAC NameN-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(C)(C)C(NC(=O)CC1CCCN1)c1ccc(F)cc1.Cl
InChIInChI=1S/C17H25FN2O.ClH/c1-17(2,3)16(12-6-8-13(18)9-7-12)20-15(21)11-14-5-4-10-19-14;/h6-9,14,16,19H,4-5,10-11H2,1-3H3,(H,20,21);1H
InChIKeyXBOHKFSUVHSRHP-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.86
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119724701
2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 61366605
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119795513
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119795514
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3-oxobutanamide
CID 61249393
N-[1-(4-phenylphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119685566
N-[1-(4-methoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 66195074
N-[1-(2-fluorophenyl)propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119722793
N-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119810405
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371571
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119729044
methyl 2-phenyl-2-[(2-pyrrolidin-2-ylacetyl)amino]acetate;hydrochloride
CID 119707961

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119724717) is N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is CC(C)(C)C(NC(=O)CC1CCCN1)c1ccc(F)cc1.Cl.
What is the InChIKey of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is XBOHKFSUVHSRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O.ClH/c1-17(2,3)16(12-6-8-13(18)9-7-12)20-15(21)11-14-5-4-10-19-14;/h6-9,14,16,19H,4-5,10-11H2,1-3H3,(H,20,21);1H.
What are the key properties of N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 328.86 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119724717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).