2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone

C15H16ClNO2 — CID 114737146

IUPAC2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone
SMILESNCC1(CC(=O)c2cc3cc(Cl)ccc3o2)CCC1
InChIInChI=1S/C15H16ClNO2/c16-11-2-3-13-10(6-11)7-14(19-13)12(18)8-15(9-17)4-1-5-15/h2-3,6-7H,1,4-5,8-9,17H2
InChIKeyQUCJRDUZIUFVJT-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.79
Rot. Bonds4

About 2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone

2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone (PubChem CID 114737146) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone
PubChem CID114737146
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone
SMILESNCC1(CC(=O)c2cc3cc(Cl)ccc3o2)CCC1
InChIInChI=1S/C15H16ClNO2/c16-11-2-3-13-10(6-11)7-14(19-13)12(18)8-15(9-17)4-1-5-15/h2-3,6-7H,1,4-5,8-9,17H2
InChIKeyQUCJRDUZIUFVJT-UHFFFAOYSA-N
XLogP3.79
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclobutyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737144
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
(1-aminocyclobutyl)-(5-chloro-1-benzofuran-2-yl)methanone
CID 114737132
2-[1-(aminomethyl)cyclohexyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737415
4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736251
1-(5-chloro-1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanone
CID 114736387
4-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114737094
2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114737417
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
2-[1-(aminomethyl)cyclohexyl]-1-(3-chlorophenyl)ethanone
CID 116614429
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone
CID 115573243
3-amino-1-(5-chloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 114737160

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone (CID 114737146) is 2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone is NCC1(CC(=O)c2cc3cc(Cl)ccc3o2)CCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone?
The InChIKey is QUCJRDUZIUFVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c16-11-2-3-13-10(6-11)7-14(19-13)12(18)8-15(9-17)4-1-5-15/h2-3,6-7H,1,4-5,8-9,17H2.
What are the key properties of 2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone?
2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone has a molecular weight of 277.75 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 114737146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).