N-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide

C13H14F2N2O2 — CID 610660

IUPACN-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1c(F)cc2[nH]cc(CCNC(C)=O)c2c1F
InChIInChI=1S/C13H14F2N2O2/c1-7(18)16-4-3-8-6-17-10-5-9(14)13(19-2)12(15)11(8)10/h5-6,17H,3-4H2,1-2H3,(H,16,18)
InChIKeyIPRYOTBYYDVNAA-UHFFFAOYSA-N
MW268.26 g/mol
LogP2.13
Rot. Bonds4

About N-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide

N-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 610660) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is N-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID610660
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC NameN-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1c(F)cc2[nH]cc(CCNC(C)=O)c2c1F
InChIInChI=1S/C13H14F2N2O2/c1-7(18)16-4-3-8-6-17-10-5-9(14)13(19-2)12(15)11(8)10/h5-6,17H,3-4H2,1-2H3,(H,16,18)
InChIKeyIPRYOTBYYDVNAA-UHFFFAOYSA-N
XLogP2.13
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4,5-difluoro-1H-indol-3-yl)ethyl]acetamide
CID 162744824
N-[2-(4,6,7-trichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 58952589
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(7-deuterio-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 87897806
[3-(2-acetamidoethyl)-1H-indol-6-yl] acetate
CID 169222411
N-[2-(4,6-dichloro-5-methoxy-2,3-dihydro-1H-indol-3-yl)ethyl]acetamide;N-[2-(4,6-dichloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 158773129
N-[2-(2-fluoro-5-methoxyphenyl)ethyl]acetamide
CID 86035442
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113084605
N-[4-(3,5-difluoro-4-methoxyphenyl)but-3-enyl]acetamide
CID 170489005
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
3-methoxy-N-[2-(4,5,6-trimethoxy-1H-indol-3-yl)ethyl]benzamide
CID 113084619

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of N-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 610660) is N-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1c(F)cc2[nH]cc(CCNC(C)=O)c2c1F.
What is the InChIKey of N-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is IPRYOTBYYDVNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-7(18)16-4-3-8-6-17-10-5-9(14)13(19-2)12(15)11(8)10/h5-6,17H,3-4H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide?
N-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 268.26 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-difluoro-5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 610660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).