N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C14H19Cl2FN2O — CID 119795513

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(NC(=O)CC1CCCN1)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C14H18ClFN2O.ClH/c1-9(12-5-4-10(16)7-13(12)15)18-14(19)8-11-3-2-6-17-11;/h4-5,7,9,11,17H,2-3,6,8H2,1H3,(H,18,19);1H
InChIKeyIPGJYKKHLKVGOL-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.22
Rot. Bonds4

About N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119795513) has the molecular formula C14H19Cl2FN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119795513
Molecular FormulaC14H19Cl2FN2O
Molecular Weight321.22 g/mol
Exact Mass320.09
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCC(NC(=O)CC1CCCN1)c1ccc(F)cc1Cl.Cl
InChIInChI=1S/C14H18ClFN2O.ClH/c1-9(12-5-4-10(16)7-13(12)15)18-14(19)8-11-3-2-6-17-11;/h4-5,7,9,11,17H,2-3,6,8H2,1H3,(H,18,19);1H
InChIKeyIPGJYKKHLKVGOL-UHFFFAOYSA-N
XLogP3.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119795514
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939548
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119729044
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119785383
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119724717
N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119873541
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61372761
2-pyrrolidin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 61364244
2-pyrrolidin-2-yl-N-(1-thiophen-2-ylethyl)acetamide;hydrochloride
CID 119687090
4-amino-N-[1-(2-chloro-4-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119330268
4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673773
2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 61366605

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119795513) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is CC(NC(=O)CC1CCCN1)c1ccc(F)cc1Cl.Cl.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is IPGJYKKHLKVGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O.ClH/c1-9(12-5-4-10(16)7-13(12)15)18-14(19)8-11-3-2-6-17-11;/h4-5,7,9,11,17H,2-3,6,8H2,1H3,(H,18,19);1H.
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 321.22 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119795513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).