N-[[1-[(2R)-2-amino-4-(2-fluorophenyl)butanoyl]azetidin-3-yl]methyl]benzamide

C21H24FN3O2 — CID 140522787

IUPACN-[[1-[(2R)-2-amino-4-(2-fluorophenyl)butanoyl]azetidin-3-yl]methyl]benzamide
SMILESN[C@H](CCc1ccccc1F)C(=O)N1CC(CNC(=O)c2ccccc2)C1
InChIInChI=1S/C21H24FN3O2/c22-18-9-5-4-6-16(18)10-11-19(23)21(27)25-13-15(14-25)12-24-20(26)17-7-2-1-3-8-17/h1-9,15,19H,10-14,23H2,(H,24,26)/t19-/m1/s1
InChIKeyJILURCSVXWTSBF-LJQANCHMSA-N
MW369.44 g/mol
LogP1.97
Rot. Bonds7

About N-[[1-[(2R)-2-amino-4-(2-fluorophenyl)butanoyl]azetidin-3-yl]methyl]benzamide

N-[[1-[(2R)-2-amino-4-(2-fluorophenyl)butanoyl]azetidin-3-yl]methyl]benzamide (PubChem CID 140522787) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[[1-[(2R)-2-amino-4-(2-fluorophenyl)butanoyl]azetidin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-[(2R)-2-amino-4-(2-fluorophenyl)butanoyl]azetidin-3-yl]methyl]benzamide
PubChem CID140522787
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-[[1-[(2R)-2-amino-4-(2-fluorophenyl)butanoyl]azetidin-3-yl]methyl]benzamide
SMILESN[C@H](CCc1ccccc1F)C(=O)N1CC(CNC(=O)c2ccccc2)C1
InChIInChI=1S/C21H24FN3O2/c22-18-9-5-4-6-16(18)10-11-19(23)21(27)25-13-15(14-25)12-24-20(26)17-7-2-1-3-8-17/h1-9,15,19H,10-14,23H2,(H,24,26)/t19-/m1/s1
InChIKeyJILURCSVXWTSBF-LJQANCHMSA-N
XLogP1.97
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-3-yl]methyl]benzamide;hydrochloride
CID 119766235
(2R)-2-amino-1-[(2S)-2-(anilinomethyl)pyrrolidin-1-yl]-4-(2-fluorophenyl)butan-1-one
CID 140522783
molecular hydrogen;N-[(1-prop-2-enoylazetidin-3-yl)methyl]benzamide
CID 171506747
1-(2-benzamido-2-phenylacetyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55963689
N-[[1-(2-amino-3-methylpentanoyl)piperidin-3-yl]methyl]benzamide
CID 119766222
4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide
CID 166317910
2-amino-N-[(2-fluorophenyl)methyl]-4-phenylbutanamide
CID 114924929
4-N-cyclopropyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043298
(2R)-4-(2-fluorophenyl)-2-methyl-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 124687905
(2S)-2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 104984754
N-[[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]methyl]benzamide
CID 119313487
N-[[(3R,4S)-3,4-diaminocyclohexyl]methyl]benzamide
CID 58874409

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2R)-2-amino-4-(2-fluorophenyl)butanoyl]azetidin-3-yl]methyl]benzamide?
The IUPAC name of N-[[1-[(2R)-2-amino-4-(2-fluorophenyl)butanoyl]azetidin-3-yl]methyl]benzamide (CID 140522787) is N-[[1-[(2R)-2-amino-4-(2-fluorophenyl)butanoyl]azetidin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-[(2R)-2-amino-4-(2-fluorophenyl)butanoyl]azetidin-3-yl]methyl]benzamide?
The canonical SMILES for N-[[1-[(2R)-2-amino-4-(2-fluorophenyl)butanoyl]azetidin-3-yl]methyl]benzamide is N[C@H](CCc1ccccc1F)C(=O)N1CC(CNC(=O)c2ccccc2)C1.
What is the InChIKey of N-[[1-[(2R)-2-amino-4-(2-fluorophenyl)butanoyl]azetidin-3-yl]methyl]benzamide?
The InChIKey is JILURCSVXWTSBF-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24FN3O2/c22-18-9-5-4-6-16(18)10-11-19(23)21(27)25-13-15(14-25)12-24-20(26)17-7-2-1-3-8-17/h1-9,15,19H,10-14,23H2,(H,24,26)/t19-/m1/s1.
What are the key properties of N-[[1-[(2R)-2-amino-4-(2-fluorophenyl)butanoyl]azetidin-3-yl]methyl]benzamide?
N-[[1-[(2R)-2-amino-4-(2-fluorophenyl)butanoyl]azetidin-3-yl]methyl]benzamide has a molecular weight of 369.44 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2R)-2-amino-4-(2-fluorophenyl)butanoyl]azetidin-3-yl]methyl]benzamide is sourced from PubChem (CID 140522787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).