2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one

C14H16ClNO2 — CID 114736238

IUPAC2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H16ClNO2/c1-3-8(2)13(16)14(17)12-7-9-6-10(15)4-5-11(9)18-12/h4-8,13H,3,16H2,1-2H3
InChIKeyBHEABVAPQQECBN-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.64
Rot. Bonds4

About 2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one

2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one (PubChem CID 114736238) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one
PubChem CID114736238
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H16ClNO2/c1-3-8(2)13(16)14(17)12-7-9-6-10(15)4-5-11(9)18-12/h4-8,13H,3,16H2,1-2H3
InChIKeyBHEABVAPQQECBN-UHFFFAOYSA-N
XLogP3.64
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 114737402
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
1-(5-chloro-1-benzofuran-2-yl)-2-ethylhexan-1-one
CID 115808509
2-amino-1-(5-chloro-1-benzofuran-2-yl)pent-4-en-1-one
CID 114737306
4-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114737094
1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one
CID 114736502
ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate
CID 86813424
3-amino-1-(5-chloro-1-benzofuran-2-yl)hexan-1-one
CID 114737318
5-chloro-1-benzofuran-2-carboxylate
CID 6956015
1-(5-chloro-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 115573247
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

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one?
The IUPAC name of 2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one (CID 114736238) is 2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one is CCC(C)C(N)C(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one?
The InChIKey is BHEABVAPQQECBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-3-8(2)13(16)14(17)12-7-9-6-10(15)4-5-11(9)18-12/h4-8,13H,3,16H2,1-2H3.
What are the key properties of 2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one?
2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one has a molecular weight of 265.74 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one is sourced from PubChem (CID 114736238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).