2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C13H10Br2ClNS — CID 81251839

IUPAC2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESClc1cc2c(s1)CCC2Nc1ccc(Br)cc1Br
InChIInChI=1S/C13H10Br2ClNS/c14-7-1-2-11(9(15)5-7)17-10-3-4-12-8(10)6-13(16)18-12/h1-2,5-6,10,17H,3-4H2
InChIKeyIJBQPIZAXMHLDP-UHFFFAOYSA-N
MW407.56 g/mol
LogP6.03
Rot. Bonds2

About 2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81251839) has the molecular formula C13H10Br2ClNS and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81251839
Molecular FormulaC13H10Br2ClNS
Molecular Weight407.56 g/mol
Exact Mass404.86
IUPAC Name2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESClc1cc2c(s1)CCC2Nc1ccc(Br)cc1Br
InChIInChI=1S/C13H10Br2ClNS/c14-7-1-2-11(9(15)5-7)17-10-3-4-12-8(10)6-13(16)18-12/h1-2,5-6,10,17H,3-4H2
InChIKeyIJBQPIZAXMHLDP-UHFFFAOYSA-N
XLogP6.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-chlorophenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251718
4-bromo-2-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 81251956
N-(3-bromo-2-methylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 107629950
2-chloro-N-(2,4-dibromo-5-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 103411527
N-(4-bromo-2-ethylphenyl)-2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82690368
5-bromo-2-chloro-N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)pyridin-3-amine
CID 114051953
2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252050
2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252677
2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251828
2-chloro-N-(2,4-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252038
5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol
CID 81233900
N-[1-(4-bromophenyl)ethyl]-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251736

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81251839) is 2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is Clc1cc2c(s1)CCC2Nc1ccc(Br)cc1Br.
What is the InChIKey of 2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is IJBQPIZAXMHLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2ClNS/c14-7-1-2-11(9(15)5-7)17-10-3-4-12-8(10)6-13(16)18-12/h1-2,5-6,10,17H,3-4H2.
What are the key properties of 2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 407.56 g/mol, XLogP of 6.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81251839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).