5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide

C13H12Cl2N2OS — CID 107183624

IUPAC5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(N)cc(Cl)c1Cl)c1cccs1
InChIInChI=1S/C13H12Cl2N2OS/c1-7(11-3-2-4-19-11)17-13(18)9-5-8(16)6-10(14)12(9)15/h2-7H,16H2,1H3,(H,17,18)
InChIKeyHLPNRJREFIWLMB-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.13
Rot. Bonds3

About 5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide

5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 107183624) has the molecular formula C13H12Cl2N2OS and a molecular weight of 315.23 g/mol. Its IUPAC name is 5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID107183624
Molecular FormulaC13H12Cl2N2OS
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC Name5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide
SMILESCC(NC(=O)c1cc(N)cc(Cl)c1Cl)c1cccs1
InChIInChI=1S/C13H12Cl2N2OS/c1-7(11-3-2-4-19-11)17-13(18)9-5-8(16)6-10(14)12(9)15/h2-7H,16H2,1H3,(H,17,18)
InChIKeyHLPNRJREFIWLMB-UHFFFAOYSA-N
XLogP4.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.13
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

2-chloro-N-(1-thiophen-2-ylethyl)benzamide
CID 42907549
2-amino-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 81407916
2-amino-3-chloro-5-nitro-N-(1-thiophen-2-ylethyl)benzamide
CID 107200057
4-chloro-N-[(1R)-1-thiophen-2-ylethyl]benzamide
CID 7742310
4-amino-2-methoxy-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 107207953
6-amino-3-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62155473
5-amino-2,3-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 107185774
2-bromo-5-methyl-N-(1-thiophen-2-ylethyl)benzamide
CID 80958201
3-amino-5-methoxy-N-(1-thiophen-2-ylethyl)benzamide
CID 78985127
5-bromo-2-fluoro-N-(1-thiophen-2-ylethyl)benzamide
CID 43397649
4-amino-1-methyl-N-(1-thiophen-2-ylethyl)pyrrole-2-carboxamide
CID 43643699
4-amino-3-methyl-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81408416

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide (CID 107183624) is 5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide is CC(NC(=O)c1cc(N)cc(Cl)c1Cl)c1cccs1.
What is the InChIKey of 5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is HLPNRJREFIWLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS/c1-7(11-3-2-4-19-11)17-13(18)9-5-8(16)6-10(14)12(9)15/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide?
5-amino-2,3-dichloro-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 315.23 g/mol, XLogP of 4.13, 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-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 107183624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).