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

C19H29FN2O2 — CID 18705898

IUPAC2-(dipropylamino)-6-(3-fluoropropoxy)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCCN(CCC)C1Cc2cc(OCCCF)c(C(N)=O)cc2C1
InChIInChI=1S/C19H29FN2O2/c1-3-7-22(8-4-2)16-10-14-12-17(19(21)23)18(13-15(14)11-16)24-9-5-6-20/h12-13,16H,3-11H2,1-2H3,(H2,21,23)
InChIKeyPRWKZWFWEPULLU-UHFFFAOYSA-N
MW336.45 g/mol
LogP3.11
Rot. Bonds10

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

2-(dipropylamino)-6-(3-fluoropropoxy)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 18705898) has the molecular formula C19H29FN2O2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 2-(dipropylamino)-6-(3-fluoropropoxy)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name2-(dipropylamino)-6-(3-fluoropropoxy)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID18705898
Molecular FormulaC19H29FN2O2
Molecular Weight336.45 g/mol
Exact Mass336.22
IUPAC Name2-(dipropylamino)-6-(3-fluoropropoxy)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCCN(CCC)C1Cc2cc(OCCCF)c(C(N)=O)cc2C1
InChIInChI=1S/C19H29FN2O2/c1-3-7-22(8-4-2)16-10-14-12-17(19(21)23)18(13-15(14)11-16)24-9-5-6-20/h12-13,16H,3-11H2,1-2H3,(H2,21,23)
InChIKeyPRWKZWFWEPULLU-UHFFFAOYSA-N
XLogP3.11
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-6-(3-fluoropropoxy)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of 2-(dipropylamino)-6-(3-fluoropropoxy)-2,3-dihydro-1H-indene-5-carboxamide (CID 18705898) is 2-(dipropylamino)-6-(3-fluoropropoxy)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for 2-(dipropylamino)-6-(3-fluoropropoxy)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for 2-(dipropylamino)-6-(3-fluoropropoxy)-2,3-dihydro-1H-indene-5-carboxamide is CCCN(CCC)C1Cc2cc(OCCCF)c(C(N)=O)cc2C1.
What is the InChIKey of 2-(dipropylamino)-6-(3-fluoropropoxy)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is PRWKZWFWEPULLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O2/c1-3-7-22(8-4-2)16-10-14-12-17(19(21)23)18(13-15(14)11-16)24-9-5-6-20/h12-13,16H,3-11H2,1-2H3,(H2,21,23).
What are the key properties of 2-(dipropylamino)-6-(3-fluoropropoxy)-2,3-dihydro-1H-indene-5-carboxamide?
2-(dipropylamino)-6-(3-fluoropropoxy)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 336.45 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-6-(3-fluoropropoxy)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 18705898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).