2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride

C17H25ClFN3O2 — CID 119531294

IUPAC2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride
SMILESCCCN(C(=O)CNC(=O)Cc1cccc(F)c1)C1CCNC1.Cl
InChIInChI=1S/C17H24FN3O2.ClH/c1-2-8-21(15-6-7-19-11-15)17(23)12-20-16(22)10-13-4-3-5-14(18)9-13;/h3-5,9,15,19H,2,6-8,10-12H2,1H3,(H,20,22);1H
InChIKeyJWKRZNLQEOFIIR-UHFFFAOYSA-N
MW357.86 g/mol
LogP1.51
Rot. Bonds7

About 2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride

2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride (PubChem CID 119531294) has the molecular formula C17H25ClFN3O2 and a molecular weight of 357.86 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride
PubChem CID119531294
Molecular FormulaC17H25ClFN3O2
Molecular Weight357.86 g/mol
Exact Mass357.16
IUPAC Name2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride
SMILESCCCN(C(=O)CNC(=O)Cc1cccc(F)c1)C1CCNC1.Cl
InChIInChI=1S/C17H24FN3O2.ClH/c1-2-8-21(15-6-7-19-11-15)17(23)12-20-16(22)10-13-4-3-5-14(18)9-13;/h3-5,9,15,19H,2,6-8,10-12H2,1H3,(H,20,22);1H
InChIKeyJWKRZNLQEOFIIR-UHFFFAOYSA-N
XLogP1.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
1-[(3-fluorophenyl)methyl]-N-propyl-N-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119531085
N-[2-[cyclopropyl(2-methylpropyl)amino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 71876568
3,3-dimethyl-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]butanamide;hydrochloride
CID 119531548
3-(2,5-difluorophenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532213
1-N-methyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533221
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide
CID 119461967
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
2-(4-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60805878
2-(3-fluorophenyl)-N-piperidin-3-ylacetamide
CID 18071271

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride (CID 119531294) is 2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride is CCCN(C(=O)CNC(=O)Cc1cccc(F)c1)C1CCNC1.Cl.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride?
The InChIKey is JWKRZNLQEOFIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2.ClH/c1-2-8-21(15-6-7-19-11-15)17(23)12-20-16(22)10-13-4-3-5-14(18)9-13;/h3-5,9,15,19H,2,6-8,10-12H2,1H3,(H,20,22);1H.
What are the key properties of 2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride?
2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride has a molecular weight of 357.86 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119531294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).