7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide

C13H14ClNO3 — CID 111970426

IUPAC7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide
SMILESCC(O)CCNC(=O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C13H14ClNO3/c1-8(16)5-6-15-13(17)11-7-9-3-2-4-10(14)12(9)18-11/h2-4,7-8,16H,5-6H2,1H3,(H,15,17)
InChIKeyURSWFWXPXXVDHN-UHFFFAOYSA-N
MW267.71 g/mol
LogP2.59
Rot. Bonds4

About 7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide

7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide (PubChem CID 111970426) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide
PubChem CID111970426
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide
SMILESCC(O)CCNC(=O)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C13H14ClNO3/c1-8(16)5-6-15-13(17)11-7-9-3-2-4-10(14)12(9)18-11/h2-4,7-8,16H,5-6H2,1H3,(H,15,17)
InChIKeyURSWFWXPXXVDHN-UHFFFAOYSA-N
XLogP2.59
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
CID 111972025
7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide
CID 111972003
7-chloro-N-[1-(3-hydroxy-2-methylbutanoyl)azetidin-3-yl]-1-benzofuran-2-carboxamide
CID 167925354
N-(3-hydroxybutyl)-5,6-dimethyl-1-benzofuran-2-carboxamide
CID 111470191
4-[(7-bromo-1-benzofuran-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832339
propan-2-yl 7-chloro-1-benzofuran-2-carboxylate
CID 135394390
1-(7-chloro-1-benzofuran-2-yl)-2-ethylbutan-1-one
CID 115810703
1-(7-chloro-1-benzofuran-2-yl)-3-methoxybutan-1-one
CID 114726061
2,6-dihydroxy-N-(3-hydroxybutyl)benzamide
CID 103890654
1-(7-chloro-1-benzofuran-2-yl)-2-hydroxy-2-phenylethanone
CID 103458183
2-(aminomethyl)-1-(7-chloro-1-benzofuran-2-yl)butan-1-one
CID 114736660

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide (CID 111970426) is 7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide is CC(O)CCNC(=O)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide?
The InChIKey is URSWFWXPXXVDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-8(16)5-6-15-13(17)11-7-9-3-2-4-10(14)12(9)18-11/h2-4,7-8,16H,5-6H2,1H3,(H,15,17).
What are the key properties of 7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide?
7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide has a molecular weight of 267.71 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111970426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).