3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide

C13H12Cl2N2OS — CID 112575752

IUPAC3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(N)c1Cl)c1ccc(Cl)s1
InChIInChI=1S/C13H12Cl2N2OS/c1-7(10-5-6-11(14)19-10)17-13(18)8-3-2-4-9(16)12(8)15/h2-7H,16H2,1H3,(H,17,18)
InChIKeyMSWRMQMUIAOVPM-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.13
Rot. Bonds3

About 3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide

3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide (PubChem CID 112575752) has the molecular formula C13H12Cl2N2OS and a molecular weight of 315.23 g/mol. Its IUPAC name is 3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
PubChem CID112575752
Molecular FormulaC13H12Cl2N2OS
Molecular Weight315.23 g/mol
Exact Mass314.00
IUPAC Name3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cccc(N)c1Cl)c1ccc(Cl)s1
InChIInChI=1S/C13H12Cl2N2OS/c1-7(10-5-6-11(14)19-10)17-13(18)8-3-2-4-9(16)12(8)15/h2-7H,16H2,1H3,(H,17,18)
InChIKeyMSWRMQMUIAOVPM-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

3-bromo-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide
CID 113362339
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 47168597
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-fluoro-2-hydrazinylbenzamide
CID 62661470
N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-dihydroxybenzamide
CID 103749027
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-5-methylthiophene-2-carboxamide
CID 39272941
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37316927
2-amino-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 114922653
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-3-carboxamide
CID 62181041
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-5-hydroxybenzamide
CID 106501533
5-chloro-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-2-fluorobenzamide
CID 51938203
5-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296251
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide?
The IUPAC name of 3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide (CID 112575752) is 3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide?
The canonical SMILES for 3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide is CC(NC(=O)c1cccc(N)c1Cl)c1ccc(Cl)s1.
What is the InChIKey of 3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide?
The InChIKey is MSWRMQMUIAOVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS/c1-7(10-5-6-11(14)19-10)17-13(18)8-3-2-4-9(16)12(8)15/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide?
3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]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 3-amino-2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]benzamide is sourced from PubChem (CID 112575752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).