2-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide

C18H17F3N2O — CID 154260124

IUPAC2-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1ccccc1-c1cc(CN2CCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)14-9-12(11-23-6-3-7-23)8-13(10-14)15-4-1-2-5-16(15)17(22)24/h1-2,4-5,8-10H,3,6-7,11H2,(H2,22,24)
InChIKeyAFXGLGWQNNRDBK-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.68
Rot. Bonds4

About 2-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide

2-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 154260124) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name2-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
PubChem CID154260124
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name2-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1ccccc1-c1cc(CN2CCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O/c19-18(20,21)14-9-12(11-23-6-3-7-23)8-13(10-14)15-4-1-2-5-16(15)17(22)24/h1-2,4-5,8-10H,3,6-7,11H2,(H2,22,24)
InChIKeyAFXGLGWQNNRDBK-UHFFFAOYSA-N
XLogP3.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 170503321
3-(2-carbamoylphenyl)-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)benzamide
CID 152621995
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 87929151
2-(4-benzyl-1,4-diazepan-1-yl)-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 16608496
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
2-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 67160180
2-[(2R)-2-methyl-4-[[3-phenyl-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]acetic acid
CID 118519522
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
2-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 140533162
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide
CID 173180452
4-(2-carbamoylphenyl)-2-fluorobenzoic acid
CID 150992694
2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 55511052

Frequently Asked Questions

What is the IUPAC name of 2-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 2-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide (CID 154260124) is 2-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 2-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 2-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide is NC(=O)c1ccccc1-c1cc(CN2CCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is AFXGLGWQNNRDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c19-18(20,21)14-9-12(11-23-6-3-7-23)8-13(10-14)15-4-1-2-5-16(15)17(22)24/h1-2,4-5,8-10H,3,6-7,11H2,(H2,22,24).
What are the key properties of 2-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide?
2-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 334.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azetidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 154260124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).