2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylacetamide

C12H14ClFN2O — CID 82120592

IUPAC2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylacetamide
SMILESNC(=O)C(c1c(F)cccc1Cl)N1CCCC1
InChIInChI=1S/C12H14ClFN2O/c13-8-4-3-5-9(14)10(8)11(12(15)17)16-6-1-2-7-16/h3-5,11H,1-2,6-7H2,(H2,15,17)
InChIKeyLSXKXBXHIGAMMK-UHFFFAOYSA-N
MW256.71 g/mol
LogP2.10
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylacetamide

2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylacetamide (PubChem CID 82120592) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylacetamide
PubChem CID82120592
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylacetamide
SMILESNC(=O)C(c1c(F)cccc1Cl)N1CCCC1
InChIInChI=1S/C12H14ClFN2O/c13-8-4-3-5-9(14)10(8)11(12(15)17)16-6-1-2-7-16/h3-5,11H,1-2,6-7H2,(H2,15,17)
InChIKeyLSXKXBXHIGAMMK-UHFFFAOYSA-N
XLogP2.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-1-pyrrolidin-1-ylpropan-2-amine
CID 82299762
2-(azepan-1-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 16789934
ethyl 3-(2-chloro-6-fluorophenyl)-3-piperidin-1-ylpropanoate
CID 64540330
2-(4-fluorophenyl)-2-pyrrolidin-1-ylacetamide
CID 82114619
1-(azepan-1-yl)-2-chloro-2-(2-chloro-6-fluorophenyl)ethanone
CID 55047678
2-(1,4-diazepan-1-yl)-2-(2,3-difluorophenyl)acetamide
CID 63668089
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
2-(2-chloro-6-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetic acid
CID 83978415
2-piperidin-1-yl-2-(4-propan-2-ylphenyl)acetamide
CID 82121488
3-(2,6-difluorophenyl)-3-pyrrolidin-1-ylpropanoic acid
CID 64528925

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylacetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylacetamide (CID 82120592) is 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylacetamide is NC(=O)C(c1c(F)cccc1Cl)N1CCCC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylacetamide?
The InChIKey is LSXKXBXHIGAMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-8-4-3-5-9(14)10(8)11(12(15)17)16-6-1-2-7-16/h3-5,11H,1-2,6-7H2,(H2,15,17).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylacetamide?
2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylacetamide has a molecular weight of 256.71 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 82120592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).