5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide

C12H10Cl2N2OS — CID 107185130

IUPAC5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCc2ccsc2)c1
InChIInChI=1S/C12H10Cl2N2OS/c13-10-4-8(15)3-9(11(10)14)12(17)16-5-7-1-2-18-6-7/h1-4,6H,5,15H2,(H,16,17)
InChIKeyOVENDIUJAKSNJC-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.57
Rot. Bonds3

About 5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide

5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide (PubChem CID 107185130) has the molecular formula C12H10Cl2N2OS and a molecular weight of 301.20 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide
PubChem CID107185130
Molecular FormulaC12H10Cl2N2OS
Molecular Weight301.20 g/mol
Exact Mass299.99
IUPAC Name5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide
SMILESNc1cc(Cl)c(Cl)c(C(=O)NCc2ccsc2)c1
InChIInChI=1S/C12H10Cl2N2OS/c13-10-4-8(15)3-9(11(10)14)12(17)16-5-7-1-2-18-6-7/h1-4,6H,5,15H2,(H,16,17)
InChIKeyOVENDIUJAKSNJC-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.57
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-amino-2,3-dichloro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107229457
5-amino-2,3-dichloro-N-(pyridin-3-ylmethyl)benzamide
CID 107183451
2-amino-5-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 63248198
2-amino-5-methyl-N-(thiophen-3-ylmethyl)benzamide
CID 55175065
5-amino-2,3-dichloro-N-[(2-fluorophenyl)methyl]benzamide
CID 107183203
5-amino-2,3-dichloro-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184699
5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 107185089
2,5-dihydroxy-N-(thiophen-3-ylmethyl)benzamide
CID 103892000
5-amino-3-chloro-2-(2-thiophen-3-ylethylamino)benzamide
CID 107194939
5-amino-2,3-dichloro-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 107183561
5-amino-2,3-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211060
2-hydroxy-5-iodo-N-(thiophen-3-ylmethyl)benzamide
CID 113222923

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide (CID 107185130) is 5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide is Nc1cc(Cl)c(Cl)c(C(=O)NCc2ccsc2)c1.
What is the InChIKey of 5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide?
The InChIKey is OVENDIUJAKSNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS/c13-10-4-8(15)3-9(11(10)14)12(17)16-5-7-1-2-18-6-7/h1-4,6H,5,15H2,(H,16,17).
What are the key properties of 5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide?
5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide has a molecular weight of 301.20 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dichloro-N-(thiophen-3-ylmethyl)benzamide is sourced from PubChem (CID 107185130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).