N-[2-(2-chloro-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide

C19H17ClN2O — CID 10520058

IUPACN-[2-(2-chloro-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c2n(c3ccc(Cl)cc13)Cc1ccccc1-2
InChIInChI=1S/C19H17ClN2O/c1-12(23)21-9-8-16-17-10-14(20)6-7-18(17)22-11-13-4-2-3-5-15(13)19(16)22/h2-7,10H,8-9,11H2,1H3,(H,21,23)
InChIKeyHYTINUZZRXFLRJ-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.00
Rot. Bonds3

About N-[2-(2-chloro-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide

N-[2-(2-chloro-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide (PubChem CID 10520058) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is N-[2-(2-chloro-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chloro-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide
PubChem CID10520058
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC NameN-[2-(2-chloro-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide
SMILESCC(=O)NCCc1c2n(c3ccc(Cl)cc13)Cc1ccccc1-2
InChIInChI=1S/C19H17ClN2O/c1-12(23)21-9-8-16-17-10-14(20)6-7-18(17)22-11-13-4-2-3-5-15(13)19(16)22/h2-7,10H,8-9,11H2,1H3,(H,21,23)
InChIKeyHYTINUZZRXFLRJ-UHFFFAOYSA-N
XLogP4.00
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
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N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 384240
6-chloro-N,N-diethyl-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
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1-(4-{[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-ylmethyl]-methyl-amino}-butyl)-imidazolidin-2-one
CID 10670233
1-[2-({3-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-propyl}-methyl-amino)-ethyl]-imidazolidin-2-one
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CID 10834872
1-[2-({2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-ethyl}-methyl-amino)-ethyl]-imidazolidin-2-one
CID 11796106
1-[2-[4-[5-Chloro-1-(4-fluorophenyl)-1H-indol-3-yl]-3,6-dihydro-1(2H)-pyridinyl]ethyl]-2-imidazolidinone
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5-Chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloro-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2-chloro-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide (CID 10520058) is N-[2-(2-chloro-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-chloro-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-chloro-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide is CC(=O)NCCc1c2n(c3ccc(Cl)cc13)Cc1ccccc1-2.
What is the InChIKey of N-[2-(2-chloro-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide?
The InChIKey is HYTINUZZRXFLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-12(23)21-9-8-16-17-10-14(20)6-7-18(17)22-11-13-4-2-3-5-15(13)19(16)22/h2-7,10H,8-9,11H2,1H3,(H,21,23).
What are the key properties of N-[2-(2-chloro-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide?
N-[2-(2-chloro-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide has a molecular weight of 324.81 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloro-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide is sourced from PubChem (CID 10520058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).