N-[2-(1-acetyl-6-chloro-5-methoxy-2,3-dihydroindol-3-yl)ethyl]acetamide

C15H19ClN2O3 — CID 23283706

IUPACN-[2-(1-acetyl-6-chloro-5-methoxy-2,3-dihydroindol-3-yl)ethyl]acetamide
SMILESCOc1cc2c(cc1Cl)N(C(C)=O)CC2CCNC(C)=O
InChIInChI=1S/C15H19ClN2O3/c1-9(19)17-5-4-11-8-18(10(2)20)14-7-13(16)15(21-3)6-12(11)14/h6-7,11H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyBNAMVKKWEOPPMW-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.32
Rot. Bonds4

About N-[2-(1-acetyl-6-chloro-5-methoxy-2,3-dihydroindol-3-yl)ethyl]acetamide

N-[2-(1-acetyl-6-chloro-5-methoxy-2,3-dihydroindol-3-yl)ethyl]acetamide (PubChem CID 23283706) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is N-[2-(1-acetyl-6-chloro-5-methoxy-2,3-dihydroindol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1-acetyl-6-chloro-5-methoxy-2,3-dihydroindol-3-yl)ethyl]acetamide
PubChem CID23283706
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC NameN-[2-(1-acetyl-6-chloro-5-methoxy-2,3-dihydroindol-3-yl)ethyl]acetamide
SMILESCOc1cc2c(cc1Cl)N(C(C)=O)CC2CCNC(C)=O
InChIInChI=1S/C15H19ClN2O3/c1-9(19)17-5-4-11-8-18(10(2)20)14-7-13(16)15(21-3)6-12(11)14/h6-7,11H,4-5,8H2,1-3H3,(H,17,19)
InChIKeyBNAMVKKWEOPPMW-UHFFFAOYSA-N
XLogP2.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-acetyl-6-chloro-5-methoxy-2,3-dihydroindol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1-acetyl-6-chloro-5-methoxy-2,3-dihydroindol-3-yl)ethyl]acetamide (CID 23283706) is N-[2-(1-acetyl-6-chloro-5-methoxy-2,3-dihydroindol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1-acetyl-6-chloro-5-methoxy-2,3-dihydroindol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1-acetyl-6-chloro-5-methoxy-2,3-dihydroindol-3-yl)ethyl]acetamide is COc1cc2c(cc1Cl)N(C(C)=O)CC2CCNC(C)=O.
What is the InChIKey of N-[2-(1-acetyl-6-chloro-5-methoxy-2,3-dihydroindol-3-yl)ethyl]acetamide?
The InChIKey is BNAMVKKWEOPPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-9(19)17-5-4-11-8-18(10(2)20)14-7-13(16)15(21-3)6-12(11)14/h6-7,11H,4-5,8H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(1-acetyl-6-chloro-5-methoxy-2,3-dihydroindol-3-yl)ethyl]acetamide?
N-[2-(1-acetyl-6-chloro-5-methoxy-2,3-dihydroindol-3-yl)ethyl]acetamide has a molecular weight of 310.78 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-acetyl-6-chloro-5-methoxy-2,3-dihydroindol-3-yl)ethyl]acetamide is sourced from PubChem (CID 23283706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).