2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide

C14H14ClNO2S — CID 56764024

IUPAC2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccsc1C(O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C14H14ClNO2S/c1-9-6-7-19-13(9)12(17)8-16-14(18)10-4-2-3-5-11(10)15/h2-7,12,17H,8H2,1H3,(H,16,18)
InChIKeyWVOBDEDYUSETIZ-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.17
Rot. Bonds4

About 2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide

2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide (PubChem CID 56764024) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
PubChem CID56764024
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide
SMILESCc1ccsc1C(O)CNC(=O)c1ccccc1Cl
InChIInChI=1S/C14H14ClNO2S/c1-9-6-7-19-13(9)12(17)8-16-14(18)10-4-2-3-5-11(10)15/h2-7,12,17H,8H2,1H3,(H,16,18)
InChIKeyWVOBDEDYUSETIZ-UHFFFAOYSA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-thiophenecarboxamide
CID 2812766
5-[[(2-Chlorobenzyl)amino]methyl]-4-methyl-2-thenoic acid
CID 20890249
2-Oxo-2-[(thiophen-2-ylmethyl)amino]ethyl 2-chlorobenzoate
CID 2624205
5-{[(2-Chlorobenzyl)amino]methyl}-2-thiophenecarboxylic acid
CID 16011717
2-chloro-6-fluoro-N-(2-hydroxy-2-(thiophen-3-yl)ethyl)benzamide
CID 52992615
N-[2-hydroxy-2-(thiophen-3-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 52992625
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-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-2-(trifluoromethyl)benzamide
CID 71781687
2-Chloro-6-fluoro-N-[3-hydroxy-3-(thiophen-2-YL)propyl]benzamide
CID 71787817
N-(3-hydroxy-3-(thiophen-2-yl)propyl)-3-(trifluoromethyl)benzamide
CID 71787829

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide (CID 56764024) is 2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide is Cc1ccsc1C(O)CNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide?
The InChIKey is WVOBDEDYUSETIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c1-9-6-7-19-13(9)12(17)8-16-14(18)10-4-2-3-5-11(10)15/h2-7,12,17H,8H2,1H3,(H,16,18).
What are the key properties of 2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide?
2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide has a molecular weight of 295.79 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 56764024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).