2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide

C14H12Cl2N2OS — CID 81251727

IUPAC2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide
SMILESNC(=O)c1ccc(NC2CCc3sc(Cl)cc32)cc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c15-10-5-7(1-2-8(10)14(17)19)18-11-3-4-12-9(11)6-13(16)20-12/h1-2,5-6,11,18H,3-4H2,(H2,17,19)
InChIKeyXVBHTVVAIFYFIU-UHFFFAOYSA-N
MW327.24 g/mol
LogP4.25
Rot. Bonds3

About 2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide

2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide (PubChem CID 81251727) has the molecular formula C14H12Cl2N2OS and a molecular weight of 327.24 g/mol. Its IUPAC name is 2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide
PubChem CID81251727
Molecular FormulaC14H12Cl2N2OS
Molecular Weight327.24 g/mol
Exact Mass326.00
IUPAC Name2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide
SMILESNC(=O)c1ccc(NC2CCc3sc(Cl)cc32)cc1Cl
InChIInChI=1S/C14H12Cl2N2OS/c15-10-5-7(1-2-8(10)14(17)19)18-11-3-4-12-9(11)6-13(16)20-12/h1-2,5-6,11,18H,3-4H2,(H2,17,19)
InChIKeyXVBHTVVAIFYFIU-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252155
5-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-2-chlorobenzamide
CID 82686883
4-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-chlorobenzamide
CID 103846432
2-chloro-4-(cyclopentylamino)benzamide
CID 43736418
2-chloro-5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzonitrile
CID 81252580
2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide
CID 79111094
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-4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)benzamide
CID 102773264
N-[4-[(2-chloro-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]phenyl]acetamide
CID 82687102
2-chloro-5-(2,3-dihydro-1H-inden-1-ylamino)benzamide
CID 43713661
2-chloro-4-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzamide
CID 43736506

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide?
The IUPAC name of 2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide (CID 81251727) is 2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide.
What is the SMILES notation for 2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide?
The canonical SMILES for 2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide is NC(=O)c1ccc(NC2CCc3sc(Cl)cc32)cc1Cl.
What is the InChIKey of 2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide?
The InChIKey is XVBHTVVAIFYFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2OS/c15-10-5-7(1-2-8(10)14(17)19)18-11-3-4-12-9(11)6-13(16)20-12/h1-2,5-6,11,18H,3-4H2,(H2,17,19).
What are the key properties of 2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide?
2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide has a molecular weight of 327.24 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]benzamide is sourced from PubChem (CID 81251727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).