2-chloro-6-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzamide

C14H13ClFNO2S — CID 71787817

IUPAC2-chloro-6-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzamide
SMILESO=C(NCCC(O)c1cccs1)c1c(F)cccc1Cl
InChIInChI=1S/C14H13ClFNO2S/c15-9-3-1-4-10(16)13(9)14(19)17-7-6-11(18)12-5-2-8-20-12/h1-5,8,11,18H,6-7H2,(H,17,19)
InChIKeyDYEKGZGPYPFPIH-UHFFFAOYSA-N
MW313.78 g/mol
LogP3.39
Rot. Bonds5

About 2-chloro-6-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzamide

2-chloro-6-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzamide (PubChem CID 71787817) has the molecular formula C14H13ClFNO2S and a molecular weight of 313.78 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzamide
PubChem CID71787817
Molecular FormulaC14H13ClFNO2S
Molecular Weight313.78 g/mol
Exact Mass313.03
IUPAC Name2-chloro-6-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzamide
SMILESO=C(NCCC(O)c1cccs1)c1c(F)cccc1Cl
InChIInChI=1S/C14H13ClFNO2S/c15-9-3-1-4-10(16)13(9)14(19)17-7-6-11(18)12-5-2-8-20-12/h1-5,8,11,18H,6-7H2,(H,17,19)
InChIKeyDYEKGZGPYPFPIH-UHFFFAOYSA-N
XLogP3.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 25853984
2-chloro-6-fluoro-N-[(thiophen-3-yl)methyl]benzamide
CID 25854000
2-chloro-4-fluoro-N-[2-(2-thienyl)ethyl]benzamide
CID 27770259
2-chloro-6-fluoro-N-(2-hydroxy-2-(thiophen-3-yl)ethyl)benzamide
CID 52992615
5-chloro-N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}thiophene-2-carboxamide
CID 56765438
2-fluoro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 71683851
3-chloro-N-(2-hydroxy-2-(thiophen-2-yl)ethyl)benzamide
CID 71683855
N-(3-hydroxy-3-(thiophen-2-yl)propyl)-3-(trifluoromethyl)benzamide
CID 71787829
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-[3-hydroxy-3-(thiophen-3-yl)propyl]-2-(trifluoromethyl)benzamide
CID 86264106
N-(2-(benzo[b]thiophen-3-yl)-2-hydroxyethyl)-2-chloro-6-fluorobenzamide
CID 91630833

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzamide (CID 71787817) is 2-chloro-6-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzamide is O=C(NCCC(O)c1cccs1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-6-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzamide?
The InChIKey is DYEKGZGPYPFPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2S/c15-9-3-1-4-10(16)13(9)14(19)17-7-6-11(18)12-5-2-8-20-12/h1-5,8,11,18H,6-7H2,(H,17,19).
What are the key properties of 2-chloro-6-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzamide?
2-chloro-6-fluoro-N-(3-hydroxy-3-thiophen-2-ylpropyl)benzamide has a molecular weight of 313.78 g/mol, XLogP of 3.39, 5 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-(3-hydroxy-3-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 71787817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).