7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide

C15H12ClNO3S — CID 111972003

IUPAC7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H12ClNO3S/c16-11-3-1-2-9-6-13(20-14(9)11)15(19)17-7-12(18)10-4-5-21-8-10/h1-6,8,12,18H,7H2,(H,17,19)
InChIKeyCWFBQSYKCLPLGD-UHFFFAOYSA-N
MW321.79 g/mol
LogP3.61
Rot. Bonds4

About 7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide

7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide (PubChem CID 111972003) has the molecular formula C15H12ClNO3S and a molecular weight of 321.79 g/mol. Its IUPAC name is 7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide
PubChem CID111972003
Molecular FormulaC15H12ClNO3S
Molecular Weight321.79 g/mol
Exact Mass321.02
IUPAC Name7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C15H12ClNO3S/c16-11-3-1-2-9-6-13(20-14(9)11)15(19)17-7-12(18)10-4-5-21-8-10/h1-6,8,12,18H,7H2,(H,17,19)
InChIKeyCWFBQSYKCLPLGD-UHFFFAOYSA-N
XLogP3.61
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-benzofuran-2-carboxamide
CID 111972025
2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686301
2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434340
2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 52992615
7-chloro-N-(3-hydroxybutyl)-1-benzofuran-2-carboxamide
CID 111970426
3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 103686182
2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686528
3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434334
1-[(2R)-2-hydroxy-2-thiophen-3-ylethyl]-3-[(7-methoxy-1-benzofuran-2-yl)methyl]urea
CID 97215535
7-chloro-N-methyl-1-benzofuran-2-carboxamide
CID 84586183
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78868688
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 90613369

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide (CID 111972003) is 7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide is O=C(NCC(O)c1ccsc1)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide?
The InChIKey is CWFBQSYKCLPLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3S/c16-11-3-1-2-9-6-13(20-14(9)11)15(19)17-7-12(18)10-4-5-21-8-10/h1-6,8,12,18H,7H2,(H,17,19).
What are the key properties of 7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide?
7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide has a molecular weight of 321.79 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111972003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).