3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide

C17H17F3N2O2 — CID 111121610

IUPAC3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide
SMILESCC(O)(CNc1cccc(C(N)=O)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O2/c1-16(24,12-5-3-6-13(9-12)17(18,19)20)10-22-14-7-2-4-11(8-14)15(21)23/h2-9,22,24H,10H2,1H3,(H2,21,23)
InChIKeyBEJXWYCCKIFZTK-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.12
Rot. Bonds5

About 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide

3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide (PubChem CID 111121610) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide
PubChem CID111121610
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide
SMILESCC(O)(CNc1cccc(C(N)=O)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O2/c1-16(24,12-5-3-6-13(9-12)17(18,19)20)10-22-14-7-2-4-11(8-14)15(21)23/h2-9,22,24H,10H2,1H3,(H2,21,23)
InChIKeyBEJXWYCCKIFZTK-UHFFFAOYSA-N
XLogP3.12
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567
3-[[3-(trifluoromethyl)anilino]methyl]benzamide
CID 28571852
3-[(2-hydroxy-2,3-dimethylbutyl)amino]benzamide
CID 114003701
5-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]-1,3-dimethylbenzimidazol-2-one
CID 99774064
3-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzene-1,3-dicarboxamide
CID 46577065
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide
CID 81411204
N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzamide
CID 68969983
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407
1-[3-(2,2,2-trifluoroethylamino)phenyl]ethanone
CID 84682465
3-(trifluoromethyl)benzaldehyde;3-(trifluoromethyl)benzamide;chloride
CID 157401586

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide?
The IUPAC name of 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide (CID 111121610) is 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide.
What is the SMILES notation for 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide?
The canonical SMILES for 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide is CC(O)(CNc1cccc(C(N)=O)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide?
The InChIKey is BEJXWYCCKIFZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-16(24,12-5-3-6-13(9-12)17(18,19)20)10-22-14-7-2-4-11(8-14)15(21)23/h2-9,22,24H,10H2,1H3,(H2,21,23).
What are the key properties of 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide?
3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide has a molecular weight of 338.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide is sourced from PubChem (CID 111121610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).