4-[(3R)-3-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide

C20H23F3N2O2 — CID 70430543

IUPAC4-[(3R)-3-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide
SMILESC[C@H](CCc1ccc(C(N)=O)cc1)NC[C@@H](O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O2/c1-13(5-6-14-7-9-15(10-8-14)19(24)27)25-12-18(26)16-3-2-4-17(11-16)20(21,22)23/h2-4,7-11,13,18,25-26H,5-6,12H2,1H3,(H2,24,27)/t13-,18-/m1/s1
InChIKeyNHOBVWACQYTTEJ-FZKQIMNGSA-N
MW380.41 g/mol
LogP3.45
Rot. Bonds8

About 4-[(3R)-3-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide

4-[(3R)-3-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide (PubChem CID 70430543) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 4-[(3R)-3-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide.

Molecular Properties

Compound Name4-[(3R)-3-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide
PubChem CID70430543
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Name4-[(3R)-3-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide
SMILESC[C@H](CCc1ccc(C(N)=O)cc1)NC[C@@H](O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H23F3N2O2/c1-13(5-6-14-7-9-15(10-8-14)19(24)27)25-12-18(26)16-3-2-4-17(11-16)20(21,22)23/h2-4,7-11,13,18,25-26H,5-6,12H2,1H3,(H2,24,27)/t13-,18-/m1/s1
InChIKeyNHOBVWACQYTTEJ-FZKQIMNGSA-N
XLogP3.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide
CID 70430540
2-[1-[4-(aminomethyl)phenyl]propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 70554567
2-(heptan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60980974
2-[1-(4-aminophenyl)propan-2-ylamino]-1-[3-(trifluoromethyl)phenyl]ethanol;dihydrochloride
CID 70534879
4-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propyl]phenol
CID 70485756
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]benzamide
CID 18628146
2-(1-methoxypropan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60897467
methyl 4-[3-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]butyl]benzoate;hydrochloride
CID 44522674
(E)-3-[5-[(3R)-3-[[(2R)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]thiophen-2-yl]but-2-enoic acid
CID 70430309
methyl 4-[3-[[2-(3-carbamoyl-4-hydroxyphenyl)-2-hydroxyethyl]amino]butyl]benzoate
CID 12814758
1-(3-fluorophenyl)-2-(4-phenylbutan-2-ylamino)ethanol
CID 60981253

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide?
The IUPAC name of 4-[(3R)-3-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide (CID 70430543) is 4-[(3R)-3-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide.
What is the SMILES notation for 4-[(3R)-3-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide?
The canonical SMILES for 4-[(3R)-3-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide is C[C@H](CCc1ccc(C(N)=O)cc1)NC[C@@H](O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[(3R)-3-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide?
The InChIKey is NHOBVWACQYTTEJ-FZKQIMNGSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-13(5-6-14-7-9-15(10-8-14)19(24)27)25-12-18(26)16-3-2-4-17(11-16)20(21,22)23/h2-4,7-11,13,18,25-26H,5-6,12H2,1H3,(H2,24,27)/t13-,18-/m1/s1.
What are the key properties of 4-[(3R)-3-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide?
4-[(3R)-3-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide has a molecular weight of 380.41 g/mol, XLogP of 3.45, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]butyl]benzamide is sourced from PubChem (CID 70430543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).