2,3,4-trifluoro-N-(1-hydroxypropan-2-yloxy)benzamide

C10H10F3NO3 — CID 87972282

IUPAC2,3,4-trifluoro-N-(1-hydroxypropan-2-yloxy)benzamide
SMILESCC(CO)ONC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C10H10F3NO3/c1-5(4-15)17-14-10(16)6-2-3-7(11)9(13)8(6)12/h2-3,5,15H,4H2,1H3,(H,14,16)
InChIKeyQWJMRJMZFYEDNM-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.15
Rot. Bonds4

About 2,3,4-trifluoro-N-(1-hydroxypropan-2-yloxy)benzamide

2,3,4-trifluoro-N-(1-hydroxypropan-2-yloxy)benzamide (PubChem CID 87972282) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(1-hydroxypropan-2-yloxy)benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(1-hydroxypropan-2-yloxy)benzamide
PubChem CID87972282
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name2,3,4-trifluoro-N-(1-hydroxypropan-2-yloxy)benzamide
SMILESCC(CO)ONC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C10H10F3NO3/c1-5(4-15)17-14-10(16)6-2-3-7(11)9(13)8(6)12/h2-3,5,15H,4H2,1H3,(H,14,16)
InChIKeyQWJMRJMZFYEDNM-UHFFFAOYSA-N
XLogP1.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide
CID 113376547
methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate
CID 531421
2,3,4-trifluoro-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120827825
ethyl N-[2-[(2,3,4-trifluorobenzoyl)amino]ethyl]carbamate
CID 108574418
N-(4-chloropentyl)-2,3,4-trifluorobenzamide
CID 106129404
(2S)-3-methyl-2-[(2,3,4-trifluorobenzoyl)amino]pentanoic acid
CID 79749135
N,2,3,4-tetrafluorobenzamide
CID 91055455
2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide
CID 91723454
2,3,4-trifluoro-N-(5-hydroxypentyl)benzamide
CID 108797326
4-methoxy-1-(2,3,4-trifluorophenyl)butan-1-one
CID 65092549
2,3,4-trifluoro-N-phenylmethoxybenzamide
CID 79749238
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(1-hydroxypropan-2-yloxy)benzamide?
The IUPAC name of 2,3,4-trifluoro-N-(1-hydroxypropan-2-yloxy)benzamide (CID 87972282) is 2,3,4-trifluoro-N-(1-hydroxypropan-2-yloxy)benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(1-hydroxypropan-2-yloxy)benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-(1-hydroxypropan-2-yloxy)benzamide is CC(CO)ONC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-(1-hydroxypropan-2-yloxy)benzamide?
The InChIKey is QWJMRJMZFYEDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-5(4-15)17-14-10(16)6-2-3-7(11)9(13)8(6)12/h2-3,5,15H,4H2,1H3,(H,14,16).
What are the key properties of 2,3,4-trifluoro-N-(1-hydroxypropan-2-yloxy)benzamide?
2,3,4-trifluoro-N-(1-hydroxypropan-2-yloxy)benzamide has a molecular weight of 249.19 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(1-hydroxypropan-2-yloxy)benzamide is sourced from PubChem (CID 87972282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).