1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one

C14H16ClNO2 — CID 114736502

IUPAC1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one
SMILESCCNC(C)CC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H16ClNO2/c1-3-16-9(2)6-12(17)14-8-10-7-11(15)4-5-13(10)18-14/h4-5,7-9,16H,3,6H2,1-2H3
InChIKeyYPBAGXNVIYGYRF-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.66
Rot. Bonds5

About 1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one

1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one (PubChem CID 114736502) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one.

Molecular Properties

Compound Name1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one
PubChem CID114736502
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one
SMILESCCNC(C)CC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C14H16ClNO2/c1-3-16-9(2)6-12(17)14-8-10-7-11(15)4-5-13(10)18-14/h4-5,7-9,16H,3,6H2,1-2H3
InChIKeyYPBAGXNVIYGYRF-UHFFFAOYSA-N
XLogP3.66
TPSA42.24 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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
4-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114737094
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
ethyl 3-[(5-chloro-1-benzofuran-2-carbonyl)amino]butanoate
CID 86813424
1-(5-chloro-1-benzofuran-2-yl)-2-(2-methylpropylsulfanyl)ethanone
CID 115573247
2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one
CID 114736238
4-amino-1-(5-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736251
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
methyl 2-[(5-chloro-1-benzofuran-2-carbonyl)amino]-3-methylbutanoate
CID 86910334

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one?
The IUPAC name of 1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one (CID 114736502) is 1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one.
What is the SMILES notation for 1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one?
The canonical SMILES for 1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one is CCNC(C)CC(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one?
The InChIKey is YPBAGXNVIYGYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-3-16-9(2)6-12(17)14-8-10-7-11(15)4-5-13(10)18-14/h4-5,7-9,16H,3,6H2,1-2H3.
What are the key properties of 1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one?
1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one has a molecular weight of 265.74 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one is sourced from PubChem (CID 114736502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).