2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C13H10Cl3NS — CID 81252155

IUPAC2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESClc1cc2c(s1)CCC2Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl3NS/c14-9-2-1-7(5-10(9)15)17-11-3-4-12-8(11)6-13(16)18-12/h1-2,5-6,11,17H,3-4H2
InChIKeyFBRQGFAWRRPQNC-UHFFFAOYSA-N
MW318.66 g/mol
LogP5.81
Rot. Bonds2

About 2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252155) has the molecular formula C13H10Cl3NS and a molecular weight of 318.66 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252155
Molecular FormulaC13H10Cl3NS
Molecular Weight318.66 g/mol
Exact Mass316.96
IUPAC Name2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESClc1cc2c(s1)CCC2Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl3NS/c14-9-2-1-7(5-10(9)15)17-11-3-4-12-8(11)6-13(16)18-12/h1-2,5-6,11,17H,3-4H2
InChIKeyFBRQGFAWRRPQNC-UHFFFAOYSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.66
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzonitrile
CID 81252580
2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide
CID 81251727
N-(4-tert-butylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252769
2-chloro-N-(3-fluoro-4-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252267
2-chloro-N-(4-fluoro-3-methoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 114837645
2-[4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]acetonitrile
CID 81252485
5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-1-methylpyridin-2-one
CID 81251733
2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252677
2-chloro-N-(3-pyrazol-1-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81235453
2-chloro-N-(3-methylsulfonylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252491
N-(4-bromo-2-chlorophenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251718
N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide
CID 82687102

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252155) is 2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is Clc1cc2c(s1)CCC2Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is FBRQGFAWRRPQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl3NS/c14-9-2-1-7(5-10(9)15)17-11-3-4-12-8(11)6-13(16)18-12/h1-2,5-6,11,17H,3-4H2.
What are the key properties of 2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 318.66 g/mol, XLogP of 5.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).