4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one

C12H12ClNO2 — CID 114736248

IUPAC4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one
SMILESNCCCC(=O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C12H12ClNO2/c13-9-4-1-3-8-7-11(16-12(8)9)10(15)5-2-6-14/h1,3-4,7H,2,5-6,14H2
InChIKeyGPIVPGKBWUNWOV-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.01
Rot. Bonds4

About 4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one

4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one (PubChem CID 114736248) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one
PubChem CID114736248
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one
SMILESNCCCC(=O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C12H12ClNO2/c13-9-4-1-3-8-7-11(16-12(8)9)10(15)5-2-6-14/h1,3-4,7H,2,5-6,14H2
InChIKeyGPIVPGKBWUNWOV-UHFFFAOYSA-N
XLogP3.01
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-3-pyridin-4-ylpropan-1-one
CID 105133323
4-(2-aminoethyl)-1-(7-chloro-1-benzofuran-2-yl)heptan-1-one
CID 114736821
4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736251
4-chloro-1-(7-fluoro-1-benzofuran-2-yl)butan-1-one
CID 114725511
2-[1-(aminomethyl)cyclobutyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737144
2-[1-(aminomethyl)cyclohexyl]-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114737415
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
2-(aminomethyl)-1-(7-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736660
1-(7-chloro-1-benzofuran-2-yl)-3-methoxybutan-1-one
CID 114726061
2-(azetidin-3-yl)-1-(7-chloro-1-benzofuran-2-yl)ethanone
CID 114736812
2-amino-1-(7-chloro-1-benzofuran-2-yl)-2-methylbutan-1-one
CID 114736967
(Z)-1-(7-chloro-1-benzofuran-2-yl)-2-ethylbut-2-en-1-one
CID 103447457

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one?
The IUPAC name of 4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one (CID 114736248) is 4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one is NCCCC(=O)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one?
The InChIKey is GPIVPGKBWUNWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-9-4-1-3-8-7-11(16-12(8)9)10(15)5-2-6-14/h1,3-4,7H,2,5-6,14H2.
What are the key properties of 4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one?
4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one has a molecular weight of 237.69 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one is sourced from PubChem (CID 114736248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).