2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide

C17H16F3NO4 — CID 60583885

IUPAC2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide
SMILESO=C(NCC(O)COc1ccc(C(F)(F)F)cc1)c1ccccc1O
InChIInChI=1S/C17H16F3NO4/c18-17(19,20)11-5-7-13(8-6-11)25-10-12(22)9-21-16(24)14-3-1-2-4-15(14)23/h1-8,12,22-23H,9-10H2,(H,21,24)
InChIKeyVFQBCRBIUUFDSR-UHFFFAOYSA-N
MW355.31 g/mol
LogP2.58
Rot. Bonds6

About 2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide

2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide (PubChem CID 60583885) has the molecular formula C17H16F3NO4 and a molecular weight of 355.31 g/mol. Its IUPAC name is 2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide
PubChem CID60583885
Molecular FormulaC17H16F3NO4
Molecular Weight355.31 g/mol
Exact Mass355.10
IUPAC Name2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide
SMILESO=C(NCC(O)COc1ccc(C(F)(F)F)cc1)c1ccccc1O
InChIInChI=1S/C17H16F3NO4/c18-17(19,20)11-5-7-13(8-6-11)25-10-12(22)9-21-16(24)14-3-1-2-4-15(14)23/h1-8,12,22-23H,9-10H2,(H,21,24)
InChIKeyVFQBCRBIUUFDSR-UHFFFAOYSA-N
XLogP2.58
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]thiophene-2-carboxamide
CID 94678499
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 60583798
N-[(2S)-2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]benzamide
CID 52503690
2-(4-aminophenyl)-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]acetamide
CID 119751737
2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylpropanamide;hydrochloride
CID 120590377
1-cyclopropyl-3-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]urea
CID 110904584
N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide
CID 94678482
(2R)-2-cyclopropyl-N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-2-phenylacetamide
CID 97251720
2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid
CID 2812098
N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-(methylamino)butanamide
CID 119751739
2-[[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]carbamoyl]benzoate
CID 6945837
(2S)-2-amino-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]-4-methylpentanamide
CID 119751777

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide?
The IUPAC name of 2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide (CID 60583885) is 2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide?
The canonical SMILES for 2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide is O=C(NCC(O)COc1ccc(C(F)(F)F)cc1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide?
The InChIKey is VFQBCRBIUUFDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4/c18-17(19,20)11-5-7-13(8-6-11)25-10-12(22)9-21-16(24)14-3-1-2-4-15(14)23/h1-8,12,22-23H,9-10H2,(H,21,24).
What are the key properties of 2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide?
2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide has a molecular weight of 355.31 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]benzamide is sourced from PubChem (CID 60583885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).