3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide

C13H13ClN2O2S — CID 106434334

IUPAC3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
SMILESNc1cc(C(=O)NCC(O)c2ccsc2)ccc1Cl
InChIInChI=1S/C13H13ClN2O2S/c14-10-2-1-8(5-11(10)15)13(18)16-6-12(17)9-3-4-19-7-9/h1-5,7,12,17H,6,15H2,(H,16,18)
InChIKeyKUNHQMFHSIJWIL-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.45
Rot. Bonds4

About 3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide

3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide (PubChem CID 106434334) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
PubChem CID106434334
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
SMILESNc1cc(C(=O)NCC(O)c2ccsc2)ccc1Cl
InChIInChI=1S/C13H13ClN2O2S/c14-10-2-1-8(5-11(10)15)13(18)16-6-12(17)9-3-4-19-7-9/h1-5,7,12,17H,6,15H2,(H,16,18)
InChIKeyKUNHQMFHSIJWIL-UHFFFAOYSA-N
XLogP2.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)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

3-chloro-4-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 103686182
3-amino-4-chloro-N-(1-thiophen-3-ylethyl)benzamide
CID 62840598
3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,4-dimethylbenzamide
CID 90496462
2-(3,4-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686528
N-(2-hydroxy-2-thiophen-3-ylethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 52992616
2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434340
4-ethyl-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 90496459
N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-4-carboxamide
CID 103686115
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 106434384
7-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide
CID 111972003
N-(2-hydroxy-2-thiophen-3-ylethyl)-3,5-dimethoxybenzamide
CID 90496493

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide (CID 106434334) is 3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide is Nc1cc(C(=O)NCC(O)c2ccsc2)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The InChIKey is KUNHQMFHSIJWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c14-10-2-1-8(5-11(10)15)13(18)16-6-12(17)9-3-4-19-7-9/h1-5,7,12,17H,6,15H2,(H,16,18).
What are the key properties of 3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide has a molecular weight of 296.78 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 106434334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).