2-chloro-N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-6-fluorobenzamide

C16H15ClFNO2S — CID 95982717

IUPAC2-chloro-N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-6-fluorobenzamide
SMILESO=C(NC[C@@](O)(c1cccs1)C1CC1)c1c(F)cccc1Cl
InChIInChI=1S/C16H15ClFNO2S/c17-11-3-1-4-12(18)14(11)15(20)19-9-16(21,10-6-7-10)13-5-2-8-22-13/h1-5,8,10,21H,6-7,9H2,(H,19,20)/t16-/m0/s1
InChIKeyJXRKHLIZAWWADM-INIZCTEOSA-N
MW339.82 g/mol
LogP3.57
Rot. Bonds5

About 2-chloro-N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-6-fluorobenzamide

2-chloro-N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-6-fluorobenzamide (PubChem CID 95982717) has the molecular formula C16H15ClFNO2S and a molecular weight of 339.82 g/mol. Its IUPAC name is 2-chloro-N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-6-fluorobenzamide
PubChem CID95982717
Molecular FormulaC16H15ClFNO2S
Molecular Weight339.82 g/mol
Exact Mass339.05
IUPAC Name2-chloro-N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-6-fluorobenzamide
SMILESO=C(NC[C@@](O)(c1cccs1)C1CC1)c1c(F)cccc1Cl
InChIInChI=1S/C16H15ClFNO2S/c17-11-3-1-4-12(18)14(11)15(20)19-9-16(21,10-6-7-10)13-5-2-8-22-13/h1-5,8,10,21H,6-7,9H2,(H,19,20)/t16-/m0/s1
InChIKeyJXRKHLIZAWWADM-INIZCTEOSA-N
XLogP3.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-6-fluorobenzamide (CID 95982717) is 2-chloro-N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-6-fluorobenzamide is O=C(NC[C@@](O)(c1cccs1)C1CC1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-6-fluorobenzamide?
The InChIKey is JXRKHLIZAWWADM-INIZCTEOSA-N. The full InChI is InChI=1S/C16H15ClFNO2S/c17-11-3-1-4-12(18)14(11)15(20)19-9-16(21,10-6-7-10)13-5-2-8-22-13/h1-5,8,10,21H,6-7,9H2,(H,19,20)/t16-/m0/s1.
What are the key properties of 2-chloro-N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-6-fluorobenzamide?
2-chloro-N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-6-fluorobenzamide has a molecular weight of 339.82 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2R)-2-cyclopropyl-2-hydroxy-2-thiophen-2-ylethyl]-6-fluorobenzamide is sourced from PubChem (CID 95982717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).