2-chloro-6-fluoro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]benzamide

C16H15ClFNO2S — CID 154581663

IUPAC2-chloro-6-fluoro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCCc2sccc21)c1c(F)cccc1Cl
InChIInChI=1S/C16H15ClFNO2S/c17-11-3-1-4-12(18)14(11)15(20)19-9-16(21)7-2-5-13-10(16)6-8-22-13/h1,3-4,6,8,21H,2,5,7,9H2,(H,19,20)
InChIKeyBIHXDFGVWGKYRZ-UHFFFAOYSA-N
MW339.82 g/mol
LogP3.49
Rot. Bonds3

About 2-chloro-6-fluoro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]benzamide

2-chloro-6-fluoro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]benzamide (PubChem CID 154581663) has the molecular formula C16H15ClFNO2S and a molecular weight of 339.82 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]benzamide
PubChem CID154581663
Molecular FormulaC16H15ClFNO2S
Molecular Weight339.82 g/mol
Exact Mass339.05
IUPAC Name2-chloro-6-fluoro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]benzamide
SMILESO=C(NCC1(O)CCCc2sccc21)c1c(F)cccc1Cl
InChIInChI=1S/C16H15ClFNO2S/c17-11-3-1-4-12(18)14(11)15(20)19-9-16(21)7-2-5-13-10(16)6-8-22-13/h1,3-4,6,8,21H,2,5,7,9H2,(H,19,20)
InChIKeyBIHXDFGVWGKYRZ-UHFFFAOYSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]benzamide
CID 42266029
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-chloro-6-fluorobenzamide
CID 115267344
2-chloro-N-[[1-(2-chloroethyl)cyclopropyl]methyl]-6-fluorobenzamide
CID 114758157
1-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 154581683
N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]-1-methyltriazole-4-carboxamide
CID 154583653
2-chloro-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-6-fluorobenzamide
CID 110445812
N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 154583838
2,6-dichloro-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 65113651
2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 75357568
2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 52992615
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]benzamide (CID 154581663) is 2-chloro-6-fluoro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]benzamide is O=C(NCC1(O)CCCc2sccc21)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]benzamide?
The InChIKey is BIHXDFGVWGKYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFNO2S/c17-11-3-1-4-12(18)14(11)15(20)19-9-16(21)7-2-5-13-10(16)6-8-22-13/h1,3-4,6,8,21H,2,5,7,9H2,(H,19,20).
What are the key properties of 2-chloro-6-fluoro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]benzamide?
2-chloro-6-fluoro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]benzamide has a molecular weight of 339.82 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(4-hydroxy-6,7-dihydro-5H-1-benzothiophen-4-yl)methyl]benzamide is sourced from PubChem (CID 154581663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).