5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one

C14H16ClNO2 — CID 114737402

IUPAC5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H16ClNO2/c1-9(3-2-6-16)14(17)13-8-10-7-11(15)4-5-12(10)18-13/h4-5,7-9H,2-3,6,16H2,1H3
InChIKeyVYQWFKUJIUSHFH-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.64
Rot. Bonds5

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

5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one (PubChem CID 114737402) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one
PubChem CID114737402
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one
SMILESCC(CCCN)C(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H16ClNO2/c1-9(3-2-6-16)14(17)13-8-10-7-11(15)4-5-12(10)18-13/h4-5,7-9H,2-3,6,16H2,1H3
InChIKeyVYQWFKUJIUSHFH-UHFFFAOYSA-N
XLogP3.64
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one
CID 114736238
1-(5-chloro-1-benzofuran-2-yl)-2-ethylhexan-1-one
CID 115808509
4-amino-2-methyl-1-(5-methyl-1-benzofuran-2-yl)butan-1-one
CID 114737056
4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736251
4-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114737094
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
2-amino-1-(5-chloro-1-benzofuran-2-yl)pent-4-en-1-one
CID 114737306
3-amino-1-(5-chloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-one
CID 114737160
3-amino-1-(5-chloro-1-benzofuran-2-yl)hexan-1-one
CID 114737318
1-(5-chloro-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-1-one
CID 114736347
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
1-(5-chloro-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 115573247

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one?
The IUPAC name of 5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one (CID 114737402) is 5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one.
What is the SMILES notation for 5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one?
The canonical SMILES for 5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one is CC(CCCN)C(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one?
The InChIKey is VYQWFKUJIUSHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-9(3-2-6-16)14(17)13-8-10-7-11(15)4-5-12(10)18-13/h4-5,7-9H,2-3,6,16H2,1H3.
What are the key properties of 5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one?
5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one has a molecular weight of 265.74 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one is sourced from PubChem (CID 114737402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).