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

C13H13ClN2O2S — CID 106434340

IUPAC2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C13H13ClN2O2S/c14-10-3-1-2-9(12(10)15)13(18)16-6-11(17)8-4-5-19-7-8/h1-5,7,11,17H,6,15H2,(H,16,18)
InChIKeyWDGKDUBGWICBMW-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.45
Rot. Bonds4

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

2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide (PubChem CID 106434340) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
PubChem CID106434340
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
SMILESNc1c(Cl)cccc1C(=O)NCC(O)c1ccsc1
InChIInChI=1S/C13H13ClN2O2S/c14-10-3-1-2-9(12(10)15)13(18)16-6-11(17)8-4-5-19-7-8/h1-5,7,11,17H,6,15H2,(H,16,18)
InChIKeyWDGKDUBGWICBMW-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'}

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Related Compounds

2-chloro-6-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 52992615
2-(2,6-dichlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103686301
2-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)pyridine-3-carboxamide
CID 103771739
2-fluoro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methylbenzamide
CID 103767187
3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434334
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-hydroxy-2-thiophen-3-ylethyl)-2-nitrobenzamide
CID 90496477
2-amino-3-chloro-N-(2-phenylpropyl)benzamide
CID 115540226
2-amino-N-(2-hydroxy-2-thiophen-3-ylethyl)-5-methylbenzamide
CID 106434384
3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 103686344
1-hydroxy-N-(2-hydroxy-2-thiophen-3-ylethyl)naphthalene-2-carboxamide
CID 111441757

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The IUPAC name of 2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide (CID 106434340) is 2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide is Nc1c(Cl)cccc1C(=O)NCC(O)c1ccsc1.
What is the InChIKey of 2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
The InChIKey is WDGKDUBGWICBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c14-10-3-1-2-9(12(10)15)13(18)16-6-11(17)8-4-5-19-7-8/h1-5,7,11,17H,6,15H2,(H,16,18).
What are the key properties of 2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide?
2-amino-3-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 2-amino-3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 106434340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).