2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone

C11H10ClNO3 — CID 117351723

IUPAC2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone
SMILESCOc1cc(C(=O)CN)c(Cl)c2ccoc12
InChIInChI=1S/C11H10ClNO3/c1-15-9-4-7(8(14)5-13)10(12)6-2-3-16-11(6)9/h2-4H,5,13H2,1H3
InChIKeyFMBNMEZVEFVZOO-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.24
Rot. Bonds3

About 2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone

2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone (PubChem CID 117351723) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone
PubChem CID117351723
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone
SMILESCOc1cc(C(=O)CN)c(Cl)c2ccoc12
InChIInChI=1S/C11H10ClNO3/c1-15-9-4-7(8(14)5-13)10(12)6-2-3-16-11(6)9/h2-4H,5,13H2,1H3
InChIKeyFMBNMEZVEFVZOO-UHFFFAOYSA-N
XLogP2.24
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-7-methoxy-1-benzofuran-5-carboxylic acid
CID 117325855
2-amino-2-(4-chloro-7-methoxy-1-benzofuran-5-yl)acetic acid
CID 117392007
3-(4-chloro-7-methoxy-1-benzofuran-5-yl)-3-methylbutanoic acid
CID 117454306
1-(4-chloro-7-methoxy-1-benzofuran-5-yl)propan-2-ol
CID 117354020
2-[1-(4-chloro-7-methoxy-1-benzofuran-5-yl)cyclopropyl]acetic acid
CID 117450627
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
2-amino-1-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)ethanone
CID 117364313
2-amino-1-(2-chloro-3-methoxy-5-propan-2-ylphenyl)ethanone
CID 117356480
2-amino-1-(2-chloro-3-fluoro-5-methoxyphenyl)ethanone
CID 84785712
2-amino-1-(5-chloro-2-fluoro-4-methoxyphenyl)ethanone
CID 84683219
2-amino-1-(2-chloro-3-fluoro-5,6-dimethoxyphenyl)ethanone
CID 84706246
2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82281637

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone?
The IUPAC name of 2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone (CID 117351723) is 2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone is COc1cc(C(=O)CN)c(Cl)c2ccoc12.
What is the InChIKey of 2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone?
The InChIKey is FMBNMEZVEFVZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-15-9-4-7(8(14)5-13)10(12)6-2-3-16-11(6)9/h2-4H,5,13H2,1H3.
What are the key properties of 2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone?
2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone has a molecular weight of 239.66 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-chloro-7-methoxy-1-benzofuran-5-yl)ethanone is sourced from PubChem (CID 117351723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).