N-[2-(5-chloro-1H-indol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C17H19ClN2O2 — CID 71870646

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CC2CCC1O2
InChIInChI=1S/C17H19ClN2O2/c18-11-1-3-15-13(7-11)10(9-20-15)5-6-19-17(21)14-8-12-2-4-16(14)22-12/h1,3,7,9,12,14,16,20H,2,4-6,8H2,(H,19,21)
InChIKeyYDGDIQIYIFGTQP-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.05
Rot. Bonds4

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 71870646) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID71870646
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CC2CCC1O2
InChIInChI=1S/C17H19ClN2O2/c18-11-1-3-15-13(7-11)10(9-20-15)5-6-19-17(21)14-8-12-2-4-16(14)22-12/h1,3,7,9,12,14,16,20H,2,4-6,8H2,(H,19,21)
InChIKeyYDGDIQIYIFGTQP-UHFFFAOYSA-N
XLogP3.05
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-(5-chloro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
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CID 40052888
3-(5-chloro-1H-indol-3-yl)-N-[(5-chloro-1H-indol-3-yl)methyl]propanamide
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[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 71931295
3-(5-chloro-1H-indol-3-yl)-N-[3-(5-chloro-1H-indol-3-yl)propyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 71870646) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CC2CCC1O2.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is YDGDIQIYIFGTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-11-1-3-15-13(7-11)10(9-20-15)5-6-19-17(21)14-8-12-2-4-16(14)22-12/h1,3,7,9,12,14,16,20H,2,4-6,8H2,(H,19,21).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 318.80 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 71870646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).