(3-aminoazetidin-1-yl)-[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]methanone

C22H20F2N2O2 — CID 174178427

IUPAC(3-aminoazetidin-1-yl)-[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]methanone
SMILESCC(F)(F)c1ccc(Oc2cccc3cc(C(=O)N4CC(N)C4)ccc23)cc1
InChIInChI=1S/C22H20F2N2O2/c1-22(23,24)16-6-8-18(9-7-16)28-20-4-2-3-14-11-15(5-10-19(14)20)21(27)26-12-17(25)13-26/h2-11,17H,12-13,25H2,1H3
InChIKeyXWAMJCZDJKEPMZ-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.53
Rot. Bonds4

About (3-aminoazetidin-1-yl)-[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]methanone

(3-aminoazetidin-1-yl)-[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]methanone (PubChem CID 174178427) has the molecular formula C22H20F2N2O2 and a molecular weight of 382.41 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]methanone
PubChem CID174178427
Molecular FormulaC22H20F2N2O2
Molecular Weight382.41 g/mol
Exact Mass382.15
IUPAC Name(3-aminoazetidin-1-yl)-[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]methanone
SMILESCC(F)(F)c1ccc(Oc2cccc3cc(C(=O)N4CC(N)C4)ccc23)cc1
InChIInChI=1S/C22H20F2N2O2/c1-22(23,24)16-6-8-18(9-7-16)28-20-4-2-3-14-11-15(5-10-19(14)20)21(27)26-12-17(25)13-26/h2-11,17H,12-13,25H2,1H3
InChIKeyXWAMJCZDJKEPMZ-UHFFFAOYSA-N
XLogP4.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]-piperazin-1-ylmethanone
CID 174178429
N-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]acetamide
CID 163266717
tert-butyl N-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]carbamate
CID 163266725
[5-[4-[fluoro(diiodo)methyl]phenoxy]naphthalen-2-yl]-[3-[(2-fluoroethylamino)methyl]azetidin-1-yl]methanone
CID 167034833
propane;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 163266760
ethane;[6-(2-fluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[5-[4-(trifluoromethyl)phenoxy]naphthalen-2-yl]methanone
CID 163266741
[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[5-[4-(trifluoromethyl)phenoxy]naphthalen-2-yl]methanone
CID 163266718
N-(4-aminobutan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214020
N-[(1R)-1-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214236
N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide
CID 155713246
[(3R)-3-aminopyrrolidin-1-yl]-[5-[2-methoxy-5-(trifluoromethyl)phenyl]naphthalen-2-yl]methanone;hydrochloride
CID 172912320
N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214031

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]methanone (CID 174178427) is (3-aminoazetidin-1-yl)-[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]methanone is CC(F)(F)c1ccc(Oc2cccc3cc(C(=O)N4CC(N)C4)ccc23)cc1.
What is the InChIKey of (3-aminoazetidin-1-yl)-[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]methanone?
The InChIKey is XWAMJCZDJKEPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O2/c1-22(23,24)16-6-8-18(9-7-16)28-20-4-2-3-14-11-15(5-10-19(14)20)21(27)26-12-17(25)13-26/h2-11,17H,12-13,25H2,1H3.
What are the key properties of (3-aminoazetidin-1-yl)-[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]methanone?
(3-aminoazetidin-1-yl)-[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]methanone has a molecular weight of 382.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]methanone is sourced from PubChem (CID 174178427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).