3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one

C16H18ClNO2 — CID 158161250

IUPAC3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one
SMILESNC1CCC(CCC(=O)c2cc3cc(Cl)ccc3o2)C1
InChIInChI=1S/C16H18ClNO2/c17-12-3-6-15-11(8-12)9-16(20-15)14(19)5-2-10-1-4-13(18)7-10/h3,6,8-10,13H,1-2,4-5,7,18H2
InChIKeyUBYTYSAONTWYAM-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.18
Rot. Bonds4

About 3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one

3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one (PubChem CID 158161250) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one
PubChem CID158161250
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one
SMILESNC1CCC(CCC(=O)c2cc3cc(Cl)ccc3o2)C1
InChIInChI=1S/C16H18ClNO2/c17-12-3-6-15-11(8-12)9-16(20-15)14(19)5-2-10-1-4-13(18)7-10/h3,6,8-10,13H,1-2,4-5,7,18H2
InChIKeyUBYTYSAONTWYAM-UHFFFAOYSA-N
XLogP4.18
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736251
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
[4-(aminomethyl)cyclohexyl]-(5-chloro-1-benzofuran-2-yl)methanone
CID 114737009
N-(3-aminocyclopentyl)-5-chloro-1-benzofuran-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155069098
1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone
CID 114736387
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone
CID 115573243
1-(5-chloro-1-benzofuran-2-yl)-3-propoxypropan-1-one
CID 105132223
1-(5-chloro-1-benzofuran-2-yl)-3-[1-[3-(4-chloro-3-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]propan-1-one
CID 159854450
3-bicyclo[3.1.0]hexanyl-(5-chloro-1-benzofuran-2-yl)methanone
CID 115808599
5-chloro-N-cyclooctyl-1-benzofuran-2-carboxamide
CID 71662787
1-(5-chloro-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-1-one
CID 114736347
N-[4-[2-(5-chloro-1-benzofuran-2-yl)-2-oxoethyl]cyclohexyl]furo[2,3-c]pyridine-2-carboxamide
CID 149388857

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one?
The IUPAC name of 3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one (CID 158161250) is 3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one.
What is the SMILES notation for 3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one?
The canonical SMILES for 3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one is NC1CCC(CCC(=O)c2cc3cc(Cl)ccc3o2)C1.
What is the InChIKey of 3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one?
The InChIKey is UBYTYSAONTWYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c17-12-3-6-15-11(8-12)9-16(20-15)14(19)5-2-10-1-4-13(18)7-10/h3,6,8-10,13H,1-2,4-5,7,18H2.
What are the key properties of 3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one?
3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one has a molecular weight of 291.78 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one is sourced from PubChem (CID 158161250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).