2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide

C16H14F3NO3 — CID 99854560

IUPAC2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
SMILESO=C(NCC[C@@H](O)c1ccccc1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C16H14F3NO3/c17-11-8-10(13(18)15(22)14(11)19)16(23)20-7-6-12(21)9-4-2-1-3-5-9/h1-5,8,12,21-22H,6-7H2,(H,20,23)/t12-/m1/s1
InChIKeyHPVQWGPBKVJBFK-GFCCVEGCSA-N
MW325.29 g/mol
LogP2.66
Rot. Bonds5

About 2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide

2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide (PubChem CID 99854560) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide.

Molecular Properties

Compound Name2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
PubChem CID99854560
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC Name2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
SMILESO=C(NCC[C@@H](O)c1ccccc1)c1cc(F)c(F)c(O)c1F
InChIInChI=1S/C16H14F3NO3/c17-11-8-10(13(18)15(22)14(11)19)16(23)20-7-6-12(21)9-4-2-1-3-5-9/h1-5,8,12,21-22H,6-7H2,(H,20,23)/t12-/m1/s1
InChIKeyHPVQWGPBKVJBFK-GFCCVEGCSA-N
XLogP2.66
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
2-methyl-4-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]butanoic acid
CID 80538589
2,4,5-trifluoro-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 43501008
2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665726
2-(2-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111472132
2-fluoro-N-(3-hydroxy-3-phenylpropyl)-4-nitrobenzamide
CID 111472014
N-[(3S)-3-hydroxy-3-phenylpropyl]naphthalene-1-carboxamide
CID 97038566
4-methyl-5-[(2,4,5-trifluoro-3-hydroxybenzoyl)amino]pentanoic acid
CID 82008900
2-chloro-N-(3-hydroxy-3-phenylpropyl)-4,5-dimethylbenzamide
CID 110027727
5-(2-fluorophenyl)-N-[(3R)-3-hydroxy-3-phenylpropyl]-1H-pyrazole-4-carboxamide
CID 97051849
2,4,5-trifluoro-3-hydroxy-N-(3-hydroxy-1-phenylpropyl)-N-methylbenzamide
CID 86789930
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide?
The IUPAC name of 2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide (CID 99854560) is 2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide.
What is the SMILES notation for 2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide?
The canonical SMILES for 2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide is O=C(NCC[C@@H](O)c1ccccc1)c1cc(F)c(F)c(O)c1F.
What is the InChIKey of 2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide?
The InChIKey is HPVQWGPBKVJBFK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H14F3NO3/c17-11-8-10(13(18)15(22)14(11)19)16(23)20-7-6-12(21)9-4-2-1-3-5-9/h1-5,8,12,21-22H,6-7H2,(H,20,23)/t12-/m1/s1.
What are the key properties of 2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide?
2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide has a molecular weight of 325.29 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3-hydroxy-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide is sourced from PubChem (CID 99854560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).