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

C13H13ClN2OS — CID 16787707

IUPAC2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)NCCc1cccs1
InChIInChI=1S/C13H13ClN2OS/c14-9-3-4-11(12(15)8-9)13(17)16-6-5-10-2-1-7-18-10/h1-4,7-8H,5-6,15H2,(H,16,17)
InChIKeyZUFPKAOCJZINKR-UHFFFAOYSA-N
MW280.78 g/mol
LogP2.96
Rot. Bonds4

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

2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide (PubChem CID 16787707) has the molecular formula C13H13ClN2OS and a molecular weight of 280.78 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
PubChem CID16787707
Molecular FormulaC13H13ClN2OS
Molecular Weight280.78 g/mol
Exact Mass280.04
IUPAC Name2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)NCCc1cccs1
InChIInChI=1S/C13H13ClN2OS/c14-9-3-4-11(12(15)8-9)13(17)16-6-5-10-2-1-7-18-10/h1-4,7-8H,5-6,15H2,(H,16,17)
InChIKeyZUFPKAOCJZINKR-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-hydrazinyl-N-(2-thiophen-2-ylethyl)benzamide
CID 62247405
2-bromo-5-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 113221452
5-chloro-2-methoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 17403894
3-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 18111212
2-amino-4-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 61112878
3-amino-2,6-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 79773779
5-bromo-2-chloro-N-(2-thiophen-2-ylethyl)benzamide
CID 27770225
3-amino-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 61090030
2-amino-5-nitro-N-(2-thiophen-2-ylethyl)benzamide
CID 62072619
2,3-difluoro-N-(2-thiophen-2-ylethyl)benzamide
CID 62649314
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2,5-dichlorobenzoate
CID 7604407
4-chloro-2-(2-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 61191026

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide (CID 16787707) is 2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide is Nc1cc(Cl)ccc1C(=O)NCCc1cccs1.
What is the InChIKey of 2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide?
The InChIKey is ZUFPKAOCJZINKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS/c14-9-3-4-11(12(15)8-9)13(17)16-6-5-10-2-1-7-18-10/h1-4,7-8H,5-6,15H2,(H,16,17).
What are the key properties of 2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide?
2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide has a molecular weight of 280.78 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(2-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 16787707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).