4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one

C12H12ClNO2 — CID 114736251

IUPAC4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one
SMILESNCCCC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C12H12ClNO2/c13-9-3-4-11-8(6-9)7-12(16-11)10(15)2-1-5-14/h3-4,6-7H,1-2,5,14H2
InChIKeyYVZLRBKWFHIPCM-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.01
Rot. Bonds4

About 4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one

4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one (PubChem CID 114736251) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one.

Molecular Properties

Compound Name4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one
PubChem CID114736251
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one
SMILESNCCCC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C12H12ClNO2/c13-9-3-4-11-8(6-9)7-12(16-11)10(15)2-1-5-14/h3-4,6-7H,1-2,5,14H2
InChIKeyYVZLRBKWFHIPCM-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

Analyze 4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one 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-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
1-(5-chloro-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-1-one
CID 114736347
1-(5-chloro-1-benzofuran-2-yl)-3-propoxypropan-1-one
CID 105132223
4-(2-aminoethyl)-1-(5-chloro-1-benzofuran-2-yl)heptan-1-one
CID 114736824
5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 114737402
4-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114737094
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
4-amino-1-(7-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736248
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone
CID 115573243
3-(3-aminocyclopentyl)-1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 158161250
2-[1-(aminomethyl)cyclobutyl]-1-(5-chloro-1-benzofuran-2-yl)ethanone
CID 114737146
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 4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one?
The IUPAC name of 4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one (CID 114736251) is 4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one.
What is the SMILES notation for 4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one?
The canonical SMILES for 4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one is NCCCC(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one?
The InChIKey is YVZLRBKWFHIPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-9-3-4-11-8(6-9)7-12(16-11)10(15)2-1-5-14/h3-4,6-7H,1-2,5,14H2.
What are the key properties of 4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one?
4-amino-1-(5-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-(5-chloro-1-benzofuran-2-yl)butan-1-one is sourced from PubChem (CID 114736251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).