N-[1-(3-chloro-2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide

C20H19ClN2O2 — CID 69043958

IUPACN-[1-(3-chloro-2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide
SMILESCOc1cc2c(C(C)NC(C)=O)c3n(c2cc1Cl)Cc1ccccc1-3
InChIInChI=1S/C20H19ClN2O2/c1-11(22-12(2)24)19-15-8-18(25-3)16(21)9-17(15)23-10-13-6-4-5-7-14(13)20(19)23/h4-9,11H,10H2,1-3H3,(H,22,24)
InChIKeyYLTBZXKVBIONKB-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.53
Rot. Bonds3

About N-[1-(3-chloro-2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide

N-[1-(3-chloro-2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide (PubChem CID 69043958) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is N-[1-(3-chloro-2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide
PubChem CID69043958
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC NameN-[1-(3-chloro-2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide
SMILESCOc1cc2c(C(C)NC(C)=O)c3n(c2cc1Cl)Cc1ccccc1-3
InChIInChI=1S/C20H19ClN2O2/c1-11(22-12(2)24)19-15-8-18(25-3)16(21)9-17(15)23-10-13-6-4-5-7-14(13)20(19)23/h4-9,11H,10H2,1-3H3,(H,22,24)
InChIKeyYLTBZXKVBIONKB-UHFFFAOYSA-N
XLogP4.53
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide?
The IUPAC name of N-[1-(3-chloro-2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide (CID 69043958) is N-[1-(3-chloro-2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide.
What is the SMILES notation for N-[1-(3-chloro-2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide?
The canonical SMILES for N-[1-(3-chloro-2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide is COc1cc2c(C(C)NC(C)=O)c3n(c2cc1Cl)Cc1ccccc1-3.
What is the InChIKey of N-[1-(3-chloro-2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide?
The InChIKey is YLTBZXKVBIONKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-11(22-12(2)24)19-15-8-18(25-3)16(21)9-17(15)23-10-13-6-4-5-7-14(13)20(19)23/h4-9,11H,10H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(3-chloro-2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide?
N-[1-(3-chloro-2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide has a molecular weight of 354.84 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-methoxy-6H-isoindolo[2,1-a]indol-11-yl)ethyl]acetamide is sourced from PubChem (CID 69043958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).