1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone

C14H14ClNO2 — CID 114736387

IUPAC1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H14ClNO2/c15-10-3-4-13-9(6-10)7-14(18-13)12(17)8-11-2-1-5-16-11/h3-4,6-7,11,16H,1-2,5,8H2
InChIKeyLQHDDCYOMGXHGW-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.41
Rot. Bonds3

About 1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone

1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone (PubChem CID 114736387) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone
PubChem CID114736387
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H14ClNO2/c15-10-3-4-13-9(6-10)7-14(18-13)12(17)8-11-2-1-5-16-11/h3-4,6-7,11,16H,1-2,5,8H2
InChIKeyLQHDDCYOMGXHGW-UHFFFAOYSA-N
XLogP3.41
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-benzofuran-2-yl)-2-[(2S)-piperidin-2-yl]ethanone
CID 129368395
1-(5-chloro-2-fluorophenyl)-2-pyrrolidin-2-ylethanone
CID 116917007
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone
CID 114737146
2-(azepan-2-yl)-1-(2,4-dichlorophenyl)ethanone
CID 79538236
4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736251
7-bicyclo[4.1.0]heptanyl-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808619
5-chloro-N-[(2-hydroxycyclopentyl)methyl]-1-benzofuran-2-carboxamide
CID 111464277
3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 158161250
1-(5-bromo-1-benzofuran-2-yl)-2-(4-ethylpiperidin-2-yl)ethanone
CID 114425694
5-bromo-N-(pyrrolidin-2-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119509944
(1-aminocyclobutyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 114737132

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone (CID 114736387) is 1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone is O=C(CC1CCCN1)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone?
The InChIKey is LQHDDCYOMGXHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c15-10-3-4-13-9(6-10)7-14(18-13)12(17)8-11-2-1-5-16-11/h3-4,6-7,11,16H,1-2,5,8H2.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone?
1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone has a molecular weight of 263.72 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 114736387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).