N-[2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-oxoethyl]cyclopropanecarboxamide

C18H21FN2O2 — CID 51102736

IUPACN-[2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-oxoethyl]cyclopropanecarboxamide
SMILESO=C(NCC(=O)N1CC2(CCCC2)c2c(F)cccc21)C1CC1
InChIInChI=1S/C18H21FN2O2/c19-13-4-3-5-14-16(13)18(8-1-2-9-18)11-21(14)15(22)10-20-17(23)12-6-7-12/h3-5,12H,1-2,6-11H2,(H,20,23)
InChIKeyRAHUCKRFEJBWPQ-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.51
Rot. Bonds3

About N-[2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-oxoethyl]cyclopropanecarboxamide

N-[2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 51102736) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-oxoethyl]cyclopropanecarboxamide
PubChem CID51102736
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-[2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-oxoethyl]cyclopropanecarboxamide
SMILESO=C(NCC(=O)N1CC2(CCCC2)c2c(F)cccc21)C1CC1
InChIInChI=1S/C18H21FN2O2/c19-13-4-3-5-14-16(13)18(8-1-2-9-18)11-21(14)15(22)10-20-17(23)12-6-7-12/h3-5,12H,1-2,6-11H2,(H,20,23)
InChIKeyRAHUCKRFEJBWPQ-UHFFFAOYSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-oxoethyl]cyclopropanecarboxamide (CID 51102736) is N-[2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-oxoethyl]cyclopropanecarboxamide is O=C(NCC(=O)N1CC2(CCCC2)c2c(F)cccc21)C1CC1.
What is the InChIKey of N-[2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is RAHUCKRFEJBWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-13-4-3-5-14-16(13)18(8-1-2-9-18)11-21(14)15(22)10-20-17(23)12-6-7-12/h3-5,12H,1-2,6-11H2,(H,20,23).
What are the key properties of N-[2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-oxoethyl]cyclopropanecarboxamide?
N-[2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 51102736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).