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

C15H13Br2NOS — CID 107952210

IUPAC2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cc2c(s1)CCC2)c1ccc(Br)cc1Br
InChIInChI=1S/C15H13Br2NOS/c16-10-4-5-12(13(17)7-10)15(19)18-8-11-6-9-2-1-3-14(9)20-11/h4-7H,1-3,8H2,(H,18,19)
InChIKeyJVQOXNXERSUEGN-UHFFFAOYSA-N
MW415.15 g/mol
LogP4.69
Rot. Bonds3

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

2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide (PubChem CID 107952210) has the molecular formula C15H13Br2NOS and a molecular weight of 415.15 g/mol. Its IUPAC name is 2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
PubChem CID107952210
Molecular FormulaC15H13Br2NOS
Molecular Weight415.15 g/mol
Exact Mass412.91
IUPAC Name2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cc2c(s1)CCC2)c1ccc(Br)cc1Br
InChIInChI=1S/C15H13Br2NOS/c16-10-4-5-12(13(17)7-10)15(19)18-8-11-6-9-2-1-3-14(9)20-11/h4-7H,1-3,8H2,(H,18,19)
InChIKeyJVQOXNXERSUEGN-UHFFFAOYSA-N
XLogP4.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.15
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61207570
3-amino-5-bromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylbenzamide
CID 107872496
5-bromo-2-chloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62000467
4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 61208774
2,4-dibromo-N-(1,3-thiazol-5-ylmethyl)benzamide
CID 104579091
2-[2-(aminomethyl)phenyl]-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)acetamide
CID 81312193
4-amino-3,5-dichloro-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide
CID 82812054
2,4-dibromo-N-[(3-bromophenyl)methyl]benzamide
CID 107939159
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)-2-methylpropanamide
CID 61265462
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-1H-indole-5-carboxamide
CID 63718466
2,4-dibromo-N-(2-bromoethyl)benzamide
CID 107941215

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide (CID 107952210) is 2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide is O=C(NCc1cc2c(s1)CCC2)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide?
The InChIKey is JVQOXNXERSUEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2NOS/c16-10-4-5-12(13(17)7-10)15(19)18-8-11-6-9-2-1-3-14(9)20-11/h4-7H,1-3,8H2,(H,18,19).
What are the key properties of 2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide?
2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide has a molecular weight of 415.15 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 107952210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).