2-(dipropylamino)-6-ethoxy-N-(2-fluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide

C20H31FN2O2 — CID 18705798

IUPAC2-(dipropylamino)-6-ethoxy-N-(2-fluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCCN(CCC)C1Cc2cc(OCC)c(C(=O)NCCF)cc2C1
InChIInChI=1S/C20H31FN2O2/c1-4-9-23(10-5-2)17-11-15-13-18(20(24)22-8-7-21)19(25-6-3)14-16(15)12-17/h13-14,17H,4-12H2,1-3H3,(H,22,24)
InChIKeyFRYPGAXFMNFYIM-UHFFFAOYSA-N
MW350.48 g/mol
LogP3.37
Rot. Bonds10

About 2-(dipropylamino)-6-ethoxy-N-(2-fluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide

2-(dipropylamino)-6-ethoxy-N-(2-fluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 18705798) has the molecular formula C20H31FN2O2 and a molecular weight of 350.48 g/mol. Its IUPAC name is 2-(dipropylamino)-6-ethoxy-N-(2-fluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name2-(dipropylamino)-6-ethoxy-N-(2-fluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID18705798
Molecular FormulaC20H31FN2O2
Molecular Weight350.48 g/mol
Exact Mass350.24
IUPAC Name2-(dipropylamino)-6-ethoxy-N-(2-fluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCCN(CCC)C1Cc2cc(OCC)c(C(=O)NCCF)cc2C1
InChIInChI=1S/C20H31FN2O2/c1-4-9-23(10-5-2)17-11-15-13-18(20(24)22-8-7-21)19(25-6-3)14-16(15)12-17/h13-14,17H,4-12H2,1-3H3,(H,22,24)
InChIKeyFRYPGAXFMNFYIM-UHFFFAOYSA-N
XLogP3.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-6-ethoxy-N-(2-fluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of 2-(dipropylamino)-6-ethoxy-N-(2-fluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide (CID 18705798) is 2-(dipropylamino)-6-ethoxy-N-(2-fluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for 2-(dipropylamino)-6-ethoxy-N-(2-fluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for 2-(dipropylamino)-6-ethoxy-N-(2-fluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide is CCCN(CCC)C1Cc2cc(OCC)c(C(=O)NCCF)cc2C1.
What is the InChIKey of 2-(dipropylamino)-6-ethoxy-N-(2-fluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is FRYPGAXFMNFYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN2O2/c1-4-9-23(10-5-2)17-11-15-13-18(20(24)22-8-7-21)19(25-6-3)14-16(15)12-17/h13-14,17H,4-12H2,1-3H3,(H,22,24).
What are the key properties of 2-(dipropylamino)-6-ethoxy-N-(2-fluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide?
2-(dipropylamino)-6-ethoxy-N-(2-fluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 350.48 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-6-ethoxy-N-(2-fluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 18705798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).