1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone

C11H12ClNO2 — CID 117324410

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(Cl)ccc2c1CCO2
InChIInChI=1S/C11H12ClNO2/c1-13-6-9(14)11-7-4-5-15-10(7)3-2-8(11)12/h2-3,13H,4-6H2,1H3
InChIKeyTYHKDVQNJYMEMR-UHFFFAOYSA-N
MW225.67 g/mol
LogP1.68
Rot. Bonds3

About 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone

1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone (PubChem CID 117324410) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone
PubChem CID117324410
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1c(Cl)ccc2c1CCO2
InChIInChI=1S/C11H12ClNO2/c1-13-6-9(14)11-7-4-5-15-10(7)3-2-8(11)12/h2-3,13H,4-6H2,1H3
InChIKeyTYHKDVQNJYMEMR-UHFFFAOYSA-N
XLogP1.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)acetamide
CID 151540497
2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone
CID 117370347
methyl 5-methoxy-2,3-dihydro-1-benzofuran-4-carboxylate
CID 10081776
3-amino-1-(6-chloro-4H-1,3-benzodioxin-5-yl)propan-1-one
CID 117356145
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone
CID 117322855
1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-1-iodohydrazine
CID 153376900
3-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)propanal
CID 117300834
N-(5-bromo-2,3-dihydro-1-benzofuran-4-yl)-2-chloroacetamide
CID 146108306
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(methylamino)acetamide
CID 24694943
1-(6,7-difluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-(methylamino)ethanone
CID 117359147
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
4-chloro-5-methyl-2,3-dihydro-1-benzofuran
CID 89474128

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone (CID 117324410) is 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone is CNCC(=O)c1c(Cl)ccc2c1CCO2.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone?
The InChIKey is TYHKDVQNJYMEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-13-6-9(14)11-7-4-5-15-10(7)3-2-8(11)12/h2-3,13H,4-6H2,1H3.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone?
1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone has a molecular weight of 225.67 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-4-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 117324410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).