N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide

C17H13ClFNO2S — CID 91630833

IUPACN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide
SMILESO=C(NCC(O)c1csc2ccccc12)c1c(F)cccc1Cl
InChIInChI=1S/C17H13ClFNO2S/c18-12-5-3-6-13(19)16(12)17(22)20-8-14(21)11-9-23-15-7-2-1-4-10(11)15/h1-7,9,14,21H,8H2,(H,20,22)
InChIKeyKBWJVOCPCBCCKG-UHFFFAOYSA-N
MW349.81 g/mol
LogP4.16
Rot. Bonds4

About N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide

N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide (PubChem CID 91630833) has the molecular formula C17H13ClFNO2S and a molecular weight of 349.81 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide
PubChem CID91630833
Molecular FormulaC17H13ClFNO2S
Molecular Weight349.81 g/mol
Exact Mass349.03
IUPAC NameN-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide
SMILESO=C(NCC(O)c1csc2ccccc12)c1c(F)cccc1Cl
InChIInChI=1S/C17H13ClFNO2S/c18-12-5-3-6-13(19)16(12)17(22)20-8-14(21)11-9-23-15-7-2-1-4-10(11)15/h1-7,9,14,21H,8H2,(H,20,22)
InChIKeyKBWJVOCPCBCCKG-UHFFFAOYSA-N
XLogP4.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-fluoro-N-(2-hydroxy-2-(thiophen-3-yl)ethyl)benzamide
CID 52992615
3-chloro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 71683855
2-Chloro-6-fluoro-N-[3-hydroxy-3-(thiophen-2-YL)propyl]benzamide
CID 71787817
2-Chloro-4-fluoro-N-{2-hydroxy-2-[4-(methylsulfanyl)phenyl]ethyl}benzamide
CID 71803803
2-chloro-4-fluoro-N-({5-[hydroxy(phenyl)methyl]thiophen-2-yl}methyl)benzamide
CID 73167904
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-2-chloro-6-fluorobenzamide
CID 86263956
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 86263983
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-2-(trifluoromethyl)benzamide
CID 91630840
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-1-(4-fluorophenyl)cyclopropanecarboxamide
CID 91630852
N-[(R)-2-cyclopropyl-2-hydroxy-2-(2-thienyl)ethyl]2-chloro-6-fluorobenzamide
CID 95982717
2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
CID 56764024
2-chloro-N-(3-hydroxy-3-(thiophen-3-yl)propyl)benzamide
CID 86264083

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide?
The IUPAC name of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide (CID 91630833) is N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide.
What is the SMILES notation for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide?
The canonical SMILES for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide is O=C(NCC(O)c1csc2ccccc12)c1c(F)cccc1Cl.
What is the InChIKey of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide?
The InChIKey is KBWJVOCPCBCCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2S/c18-12-5-3-6-13(19)16(12)17(22)20-8-14(21)11-9-23-15-7-2-1-4-10(11)15/h1-7,9,14,21H,8H2,(H,20,22).
What are the key properties of N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide?
N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide has a molecular weight of 349.81 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-2-chloro-6-fluorobenzamide is sourced from PubChem (CID 91630833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).