N-[2-(5-chloro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide

C15H17ClN2O2 — CID 2991883

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CCCO1
InChIInChI=1S/C15H17ClN2O2/c16-11-3-4-13-12(8-11)10(9-18-13)5-6-17-15(19)14-2-1-7-20-14/h3-4,8-9,14,18H,1-2,5-7H2,(H,17,19)
InChIKeyXZOJOQVGBUFXNF-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.66
Rot. Bonds4

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide (PubChem CID 2991883) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
PubChem CID2991883
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CCCO1
InChIInChI=1S/C15H17ClN2O2/c16-11-3-4-13-12(8-11)10(9-18-13)5-6-17-15(19)14-2-1-7-20-14/h3-4,8-9,14,18H,1-2,5-7H2,(H,17,19)
InChIKeyXZOJOQVGBUFXNF-UHFFFAOYSA-N
XLogP2.66
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide (CID 2991883) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CCCO1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is XZOJOQVGBUFXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-11-3-4-13-12(8-11)10(9-18-13)5-6-17-15(19)14-2-1-7-20-14/h3-4,8-9,14,18H,1-2,5-7H2,(H,17,19).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 2.66, 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]oxolane-2-carboxamide is sourced from PubChem (CID 2991883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).