2-(dipropylamino)-6-(2-fluoroethoxy)-2,3-dihydro-1H-indene-5-carboxamide

C18H27FN2O2 — CID 18705807

IUPAC2-(dipropylamino)-6-(2-fluoroethoxy)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCCN(CCC)C1Cc2cc(OCCF)c(C(N)=O)cc2C1
InChIInChI=1S/C18H27FN2O2/c1-3-6-21(7-4-2)15-9-13-11-16(18(20)22)17(23-8-5-19)12-14(13)10-15/h11-12,15H,3-10H2,1-2H3,(H2,20,22)
InChIKeyNWPSKSIQHWMARL-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.72
Rot. Bonds9

About 2-(dipropylamino)-6-(2-fluoroethoxy)-2,3-dihydro-1H-indene-5-carboxamide

2-(dipropylamino)-6-(2-fluoroethoxy)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 18705807) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 2-(dipropylamino)-6-(2-fluoroethoxy)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name2-(dipropylamino)-6-(2-fluoroethoxy)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID18705807
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC Name2-(dipropylamino)-6-(2-fluoroethoxy)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCCN(CCC)C1Cc2cc(OCCF)c(C(N)=O)cc2C1
InChIInChI=1S/C18H27FN2O2/c1-3-6-21(7-4-2)15-9-13-11-16(18(20)22)17(23-8-5-19)12-14(13)10-15/h11-12,15H,3-10H2,1-2H3,(H2,20,22)
InChIKeyNWPSKSIQHWMARL-UHFFFAOYSA-N
XLogP2.72
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-6-(2-fluoroethoxy)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of 2-(dipropylamino)-6-(2-fluoroethoxy)-2,3-dihydro-1H-indene-5-carboxamide (CID 18705807) is 2-(dipropylamino)-6-(2-fluoroethoxy)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for 2-(dipropylamino)-6-(2-fluoroethoxy)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for 2-(dipropylamino)-6-(2-fluoroethoxy)-2,3-dihydro-1H-indene-5-carboxamide is CCCN(CCC)C1Cc2cc(OCCF)c(C(N)=O)cc2C1.
What is the InChIKey of 2-(dipropylamino)-6-(2-fluoroethoxy)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is NWPSKSIQHWMARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-3-6-21(7-4-2)15-9-13-11-16(18(20)22)17(23-8-5-19)12-14(13)10-15/h11-12,15H,3-10H2,1-2H3,(H2,20,22).
What are the key properties of 2-(dipropylamino)-6-(2-fluoroethoxy)-2,3-dihydro-1H-indene-5-carboxamide?
2-(dipropylamino)-6-(2-fluoroethoxy)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 322.42 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-6-(2-fluoroethoxy)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 18705807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).