N-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]acetamide

C23H19F3N2O3 — CID 163266717

IUPACN-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]acetamide
SMILESCC(=O)NC1CN(C(=O)c2ccc3c(Oc4ccc(C(F)(F)F)cc4)cccc3c2)C1
InChIInChI=1S/C23H19F3N2O3/c1-14(29)27-18-12-28(13-18)22(30)16-5-10-20-15(11-16)3-2-4-21(20)31-19-8-6-17(7-9-19)23(24,25)26/h2-11,18H,12-13H2,1H3,(H,27,29)
InChIKeyQTGNGJODGCXNPN-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.61
Rot. Bonds4

About N-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]acetamide

N-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]acetamide (PubChem CID 163266717) has the molecular formula C23H19F3N2O3 and a molecular weight of 428.41 g/mol. Its IUPAC name is N-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]acetamide
PubChem CID163266717
Molecular FormulaC23H19F3N2O3
Molecular Weight428.41 g/mol
Exact Mass428.13
IUPAC NameN-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]acetamide
SMILESCC(=O)NC1CN(C(=O)c2ccc3c(Oc4ccc(C(F)(F)F)cc4)cccc3c2)C1
InChIInChI=1S/C23H19F3N2O3/c1-14(29)27-18-12-28(13-18)22(30)16-5-10-20-15(11-16)3-2-4-21(20)31-19-8-6-17(7-9-19)23(24,25)26/h2-11,18H,12-13H2,1H3,(H,27,29)
InChIKeyQTGNGJODGCXNPN-UHFFFAOYSA-N
XLogP4.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]carbamate
CID 163266725
(3-aminoazetidin-1-yl)-[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]methanone
CID 174178427
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
[5-[4-[fluoro(diiodo)methyl]phenoxy]naphthalen-2-yl]-[3-[(2-fluoroethylamino)methyl]azetidin-1-yl]methanone
CID 167034833
[5-[4-(1,1-difluoroethyl)phenoxy]naphthalen-2-yl]-piperazin-1-ylmethanone
CID 174178429
N-[(1R)-1-[1-(2,2-difluoroethyl)azetidin-3-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214236
N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214031
N-(4-aminobutan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214020
N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide
CID 155713246
N-[(2S)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214013

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]acetamide?
The IUPAC name of N-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]acetamide (CID 163266717) is N-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]acetamide?
The canonical SMILES for N-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]acetamide is CC(=O)NC1CN(C(=O)c2ccc3c(Oc4ccc(C(F)(F)F)cc4)cccc3c2)C1.
What is the InChIKey of N-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]acetamide?
The InChIKey is QTGNGJODGCXNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O3/c1-14(29)27-18-12-28(13-18)22(30)16-5-10-20-15(11-16)3-2-4-21(20)31-19-8-6-17(7-9-19)23(24,25)26/h2-11,18H,12-13H2,1H3,(H,27,29).
What are the key properties of N-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]acetamide?
N-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]acetamide has a molecular weight of 428.41 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]acetamide is sourced from PubChem (CID 163266717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).