N-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-N-methylcyclobutanecarboxamide

C23H27FN2O2 — CID 54651200

IUPACN-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-N-methylcyclobutanecarboxamide
SMILESCN(C[C@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccc(F)cc2)cc1)C(=O)C1CCC1
InChIInChI=1S/C23H27FN2O2/c1-26(23(28)18-3-2-4-18)13-20-22(21(14-27)25-20)17-7-5-15(6-8-17)16-9-11-19(24)12-10-16/h5-12,18,20-22,25,27H,2-4,13-14H2,1H3/t20-,21+,22+/m1/s1
InChIKeyVJGYFRYUHKUXGR-FSSWDIPSSA-N
MW382.48 g/mol
LogP3.17
Rot. Bonds6

About N-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-N-methylcyclobutanecarboxamide

N-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-N-methylcyclobutanecarboxamide (PubChem CID 54651200) has the molecular formula C23H27FN2O2 and a molecular weight of 382.48 g/mol. Its IUPAC name is N-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-N-methylcyclobutanecarboxamide
PubChem CID54651200
Molecular FormulaC23H27FN2O2
Molecular Weight382.48 g/mol
Exact Mass382.21
IUPAC NameN-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-N-methylcyclobutanecarboxamide
SMILESCN(C[C@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccc(F)cc2)cc1)C(=O)C1CCC1
InChIInChI=1S/C23H27FN2O2/c1-26(23(28)18-3-2-4-18)13-20-22(21(14-27)25-20)17-7-5-15(6-8-17)16-9-11-19(24)12-10-16/h5-12,18,20-22,25,27H,2-4,13-14H2,1H3/t20-,21+,22+/m1/s1
InChIKeyVJGYFRYUHKUXGR-FSSWDIPSSA-N
XLogP3.17
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-N-[(2S)-1-hydroxy-5-phenylpentan-2-yl]propanamide
CID 44334453
(2S,3S,4S)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
CID 54649963
(2S,3S,4S)-2-cyano-3-[4-[(E)-2-(3-fluorophenyl)ethenyl]phenyl]-4-(hydroxymethyl)-N-propylazetidine-1-carboxamide
CID 137638588
(2S,3S,4S)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propylazetidine-1-carboxamide
CID 137642074
(2S,3S,4S)-2-cyano-3-[4-[2-(3-fluorophenyl)ethyl]phenyl]-4-(hydroxymethyl)-N-propylazetidine-1-carboxamide
CID 137642840
(2S,3S,4S)-2-cyano-3-[4-(3-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propylazetidine-1-carboxamide
CID 137659012
(2S,3S,4R)-2-cyano-3-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propyl-1-azetidinecarboxamide
CID 54649959
(2S,3S,4S)-2-cyano-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)-N-propan-2-ylazetidine-1-carboxamide
CID 54650098
(2R,3R,4S)-1-(cyclobutanecarbonyl)-3-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-4-(hydroxymethyl)azetidine-2-carbonitrile
CID 54651010
1-[[(2R,3R,4S)-1-(cyclopropanecarbonyl)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-3-propan-2-ylurea
CID 54651241
N-[[(2S,3S,4R)-3-[4-(1-cyclopentenyl)phenyl]-1-[cyclopropyl(oxo)methyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-2-methoxyacetamide
CID 54651290
N-ethyl-N-[[(2S,3S,4S)-4-(hydroxymethyl)-3-[4-[(E)-prop-1-enyl]phenyl]azetidin-2-yl]methyl]-2-morpholin-4-ylacetamide
CID 54651336

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-N-methylcyclobutanecarboxamide?
The IUPAC name of N-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-N-methylcyclobutanecarboxamide (CID 54651200) is N-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-N-methylcyclobutanecarboxamide is CN(C[C@H]1N[C@@H](CO)[C@H]1c1ccc(-c2ccc(F)cc2)cc1)C(=O)C1CCC1.
What is the InChIKey of N-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-N-methylcyclobutanecarboxamide?
The InChIKey is VJGYFRYUHKUXGR-FSSWDIPSSA-N. The full InChI is InChI=1S/C23H27FN2O2/c1-26(23(28)18-3-2-4-18)13-20-22(21(14-27)25-20)17-7-5-15(6-8-17)16-9-11-19(24)12-10-16/h5-12,18,20-22,25,27H,2-4,13-14H2,1H3/t20-,21+,22+/m1/s1.
What are the key properties of N-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-N-methylcyclobutanecarboxamide?
N-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-N-methylcyclobutanecarboxamide has a molecular weight of 382.48 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3S,4R)-3-[4-(4-fluorophenyl)phenyl]-4-(hydroxymethyl)azetidin-2-yl]methyl]-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 54651200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).