2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide

C17H13ClFNO2S2 — CID 124759513

IUPAC2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide
SMILESO=C(NC[C@](O)(c1ccsc1)c1cccs1)c1c(F)cccc1Cl
InChIInChI=1S/C17H13ClFNO2S2/c18-12-3-1-4-13(19)15(12)16(21)20-10-17(22,11-6-8-23-9-11)14-5-2-7-24-14/h1-9,22H,10H2,(H,20,21)/t17-/m0/s1
InChIKeyGBYYXDLNVHAMCG-KRWDZBQOSA-N
MW381.88 g/mol
LogP4.27
Rot. Bonds5

About 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide

2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide (PubChem CID 124759513) has the molecular formula C17H13ClFNO2S2 and a molecular weight of 381.88 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide
PubChem CID124759513
Molecular FormulaC17H13ClFNO2S2
Molecular Weight381.88 g/mol
Exact Mass381.01
IUPAC Name2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide
SMILESO=C(NC[C@](O)(c1ccsc1)c1cccs1)c1c(F)cccc1Cl
InChIInChI=1S/C17H13ClFNO2S2/c18-12-3-1-4-13(19)15(12)16(21)20-10-17(22,11-6-8-23-9-11)14-5-2-7-24-14/h1-9,22H,10H2,(H,20,21)/t17-/m0/s1
InChIKeyGBYYXDLNVHAMCG-KRWDZBQOSA-N
XLogP4.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide with MolForge

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Related Compounds

N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]naphthalene-1-carboxamide
CID 124760414
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-thiophen-3-ylacetamide
CID 121170151
N-ethyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170273
2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]acetamide
CID 129417977
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2-methyl-3-nitrobenzamide
CID 121170079
N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-2,3,4-trimethoxybenzamide
CID 121170123
1-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)-3-propylurea
CID 121170348
2,6-difluoro-N-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]benzamide
CID 95983276
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 124878214
N-benzyl-N'-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)oxamide
CID 121170286
N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 124878438
4-butoxy-N-(2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl)benzamide
CID 121170103

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide (CID 124759513) is 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide is O=C(NC[C@](O)(c1ccsc1)c1cccs1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide?
The InChIKey is GBYYXDLNVHAMCG-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H13ClFNO2S2/c18-12-3-1-4-13(19)15(12)16(21)20-10-17(22,11-6-8-23-9-11)14-5-2-7-24-14/h1-9,22H,10H2,(H,20,21)/t17-/m0/s1.
What are the key properties of 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide?
2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide has a molecular weight of 381.88 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(2R)-2-hydroxy-2-thiophen-2-yl-2-thiophen-3-ylethyl]benzamide is sourced from PubChem (CID 124759513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).