4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide

C15H14Cl2N2OS — CID 82812054

IUPAC4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
SMILESNc1c(Cl)cc(C(=O)NCc2cc3c(s2)CCC3)cc1Cl
InChIInChI=1S/C15H14Cl2N2OS/c16-11-5-9(6-12(17)14(11)18)15(20)19-7-10-4-8-2-1-3-13(8)21-10/h4-6H,1-3,7,18H2,(H,19,20)
InChIKeyCBKKCULUGIFYRS-UHFFFAOYSA-N
MW341.26 g/mol
LogP4.06
Rot. Bonds3

About 4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide

4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide (PubChem CID 82812054) has the molecular formula C15H14Cl2N2OS and a molecular weight of 341.26 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
PubChem CID82812054
Molecular FormulaC15H14Cl2N2OS
Molecular Weight341.26 g/mol
Exact Mass340.02
IUPAC Name4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
SMILESNc1c(Cl)cc(C(=O)NCc2cc3c(s2)CCC3)cc1Cl
InChIInChI=1S/C15H14Cl2N2OS/c16-11-5-9(6-12(17)14(11)18)15(20)19-7-10-4-8-2-1-3-13(8)21-10/h4-6H,1-3,7,18H2,(H,19,20)
InChIKeyCBKKCULUGIFYRS-UHFFFAOYSA-N
XLogP4.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 54.06
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

4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61208774
6-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 61215827
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61207570
4-amino-3,5-dichloro-N-[(4,5-dimethylthiophen-2-yl)methyl]benzamide
CID 82832446
5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62000467
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 61265462
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide
CID 63718466
4-amino-3,5-dichloro-N-[(5-methylthiophen-2-yl)methyl]benzamide
CID 82832866
3-amino-5-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylbenzamide
CID 107872496
2-[2-(aminomethyl)phenyl]-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)acetamide
CID 81312193
4-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1-ethylpyrazole-3-carboxamide
CID 65358158
3-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 62728528

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide (CID 82812054) is 4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide is Nc1c(Cl)cc(C(=O)NCc2cc3c(s2)CCC3)cc1Cl.
What is the InChIKey of 4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide?
The InChIKey is CBKKCULUGIFYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2OS/c16-11-5-9(6-12(17)14(11)18)15(20)19-7-10-4-8-2-1-3-13(8)21-10/h4-6H,1-3,7,18H2,(H,19,20).
What are the key properties of 4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide?
4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide has a molecular weight of 341.26 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 82812054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).