N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carboxamide

C24H26F2N2O4 — CID 60605071

IUPACN-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCc2cc(OC(F)F)ccc21)N1CCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H26F2N2O4/c25-23(26)32-17-7-8-18-15(13-17)3-1-4-19(18)27-24(29)28-10-2-5-20(28)16-6-9-21-22(14-16)31-12-11-30-21/h6-9,13-14,19-20,23H,1-5,10-12H2,(H,27,29)
InChIKeyOGYFWLWZMQHADD-UHFFFAOYSA-N
MW444.48 g/mol
LogP4.98
Rot. Bonds4

About N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carboxamide

N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carboxamide (PubChem CID 60605071) has the molecular formula C24H26F2N2O4 and a molecular weight of 444.48 g/mol. Its IUPAC name is N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carboxamide
PubChem CID60605071
Molecular FormulaC24H26F2N2O4
Molecular Weight444.48 g/mol
Exact Mass444.19
IUPAC NameN-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCCc2cc(OC(F)F)ccc21)N1CCCC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H26F2N2O4/c25-23(26)32-17-7-8-18-15(13-17)3-1-4-19(18)27-24(29)28-10-2-5-20(28)16-6-9-21-22(14-16)31-12-11-30-21/h6-9,13-14,19-20,23H,1-5,10-12H2,(H,27,29)
InChIKeyOGYFWLWZMQHADD-UHFFFAOYSA-N
XLogP4.98
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 60603306
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone
CID 43033918
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 119310217
3-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119760687
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 9398885
3-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111424275
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-propan-2-yloxypropyl)pyrrolidine-1-carboxamide
CID 86914027
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methanone
CID 100838850
2-chloro-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone
CID 4961580
3-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopentane-1-carboxamide
CID 119760686
1-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 95315778
cis-(1S,2R)-N-[(1R)-6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95346231

Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carboxamide (CID 60605071) is N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carboxamide is O=C(NC1CCCc2cc(OC(F)F)ccc21)N1CCCC1c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carboxamide?
The InChIKey is OGYFWLWZMQHADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O4/c25-23(26)32-17-7-8-18-15(13-17)3-1-4-19(18)27-24(29)28-10-2-5-20(28)16-6-9-21-22(14-16)31-12-11-30-21/h6-9,13-14,19-20,23H,1-5,10-12H2,(H,27,29).
What are the key properties of N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carboxamide?
N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carboxamide has a molecular weight of 444.48 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 60605071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).