2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide

C14H13Cl2NO2S — CID 103686528

IUPAC2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCC(O)c1ccsc1
InChIInChI=1S/C14H13Cl2NO2S/c15-11-2-1-9(5-12(11)16)6-14(19)17-7-13(18)10-3-4-20-8-10/h1-5,8,13,18H,6-7H2,(H,17,19)
InChIKeyKZCLGTVGMXDLDW-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.45
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide

2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide (PubChem CID 103686528) has the molecular formula C14H13Cl2NO2S and a molecular weight of 330.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
PubChem CID103686528
Molecular FormulaC14H13Cl2NO2S
Molecular Weight330.24 g/mol
Exact Mass329.00
IUPAC Name2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)NCC(O)c1ccsc1
InChIInChI=1S/C14H13Cl2NO2S/c15-11-2-1-9(5-12(11)16)6-14(19)17-7-13(18)10-3-4-20-8-10/h1-5,8,13,18H,6-7H2,(H,17,19)
InChIKeyKZCLGTVGMXDLDW-UHFFFAOYSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide 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

2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686301
3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434334
(E)-3-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)prop-2-enamide
CID 103771659
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 106434922
3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 103686344
3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 103686182
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 106436139
N-(2-hydroxy-2-thiophen-3-ylethyl)-2-(methylamino)acetamide
CID 103812170
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103715894
7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide
CID 111972003
N-(2-chloropropyl)-2-(3,4-dichlorophenyl)acetamide
CID 114296344
2-(2-fluorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686234

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide (CID 103686528) is 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)NCC(O)c1ccsc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
The InChIKey is KZCLGTVGMXDLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2S/c15-11-2-1-9(5-12(11)16)6-14(19)17-7-13(18)10-3-4-20-8-10/h1-5,8,13,18H,6-7H2,(H,17,19).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide?
2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide has a molecular weight of 330.24 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 103686528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).