ethanol;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]benzoic acid

C19H22F3NO3 — CID 67740118

IUPACethanol;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]benzoic acid
SMILESCC(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)O.CCO
InChIInChI=1S/C17H16F3NO2.C2H6O/c1-11(21-15-8-3-2-7-14(15)16(22)23)9-12-5-4-6-13(10-12)17(18,19)20;1-2-3/h2-8,10-11,21H,9H2,1H3,(H,22,23);3H,2H2,1H3
InChIKeyHOWCDZIWCVGCCY-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.45
Rot. Bonds5

About ethanol;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]benzoic acid

ethanol;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]benzoic acid (PubChem CID 67740118) has the molecular formula C19H22F3NO3 and a molecular weight of 369.38 g/mol. Its IUPAC name is ethanol;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]benzoic acid.

Molecular Properties

Compound Nameethanol;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]benzoic acid
PubChem CID67740118
Molecular FormulaC19H22F3NO3
Molecular Weight369.38 g/mol
Exact Mass369.16
IUPAC Nameethanol;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]benzoic acid
SMILESCC(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)O.CCO
InChIInChI=1S/C17H16F3NO2.C2H6O/c1-11(21-15-8-3-2-7-14(15)16(22)23)9-12-5-4-6-13(10-12)17(18,19)20;1-2-3/h2-8,10-11,21H,9H2,1H3,(H,22,23);3H,2H2,1H3
InChIKeyHOWCDZIWCVGCCY-UHFFFAOYSA-N
XLogP4.45
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]benzoic acid?
The IUPAC name of ethanol;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]benzoic acid (CID 67740118) is ethanol;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]benzoic acid.
What is the SMILES notation for ethanol;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]benzoic acid?
The canonical SMILES for ethanol;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]benzoic acid is CC(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)O.CCO.
What is the InChIKey of ethanol;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]benzoic acid?
The InChIKey is HOWCDZIWCVGCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2.C2H6O/c1-11(21-15-8-3-2-7-14(15)16(22)23)9-12-5-4-6-13(10-12)17(18,19)20;1-2-3/h2-8,10-11,21H,9H2,1H3,(H,22,23);3H,2H2,1H3.
What are the key properties of ethanol;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]benzoic acid?
ethanol;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]benzoic acid has a molecular weight of 369.38 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]benzoic acid is sourced from PubChem (CID 67740118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).