2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide

C10H9F4NO2 — CID 83058281

IUPAC2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)CNC(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C10H9F4NO2/c1-4(16)3-15-10(17)5-2-6(11)8(13)9(14)7(5)12/h2,4,16H,3H2,1H3,(H,15,17)/t4-/m1/s1
InChIKeyCUABWJKTEQKQRT-SCSAIBSYSA-N
MW251.18 g/mol
LogP1.35
Rot. Bonds3

About 2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide

2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide (PubChem CID 83058281) has the molecular formula C10H9F4NO2 and a molecular weight of 251.18 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide
PubChem CID83058281
Molecular FormulaC10H9F4NO2
Molecular Weight251.18 g/mol
Exact Mass251.06
IUPAC Name2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide
SMILESC[C@@H](O)CNC(=O)c1cc(F)c(F)c(F)c1F
InChIInChI=1S/C10H9F4NO2/c1-4(16)3-15-10(17)5-2-6(11)8(13)9(14)7(5)12/h2,4,16H,3H2,1H3,(H,15,17)/t4-/m1/s1
InChIKeyCUABWJKTEQKQRT-SCSAIBSYSA-N
XLogP1.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5-tetrafluoro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460606
4-chloro-2,5-difluoro-N-(2-hydroxypropyl)benzamide
CID 82771930
2-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]pentanoic acid
CID 65218696
methyl 2-[[(2,3,4,5-tetrafluorobenzoyl)amino]methyl]butanoate
CID 126822059
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
5-amino-2-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 93091477
N-[2-[bis[2-[(2,3,4,5-tetrafluorobenzoyl)amino]ethyl]amino]ethyl]-2,3,4,5-tetrafluorobenzamide
CID 139198554
3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
CID 42919303
2-fluoro-N-[(2S)-2-hydroxypropyl]-3-methyl-5-nitrobenzamide
CID 103297676
5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
CID 62815767
2,5-dichloro-N-[(2R)-2-hydroxypropyl]benzamide
CID 83031874
N-(2-cyanopropyl)-2,4,5-trifluoro-3-hydroxybenzamide
CID 62651111

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide?
The IUPAC name of 2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide (CID 83058281) is 2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide?
The canonical SMILES for 2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide is C[C@@H](O)CNC(=O)c1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide?
The InChIKey is CUABWJKTEQKQRT-SCSAIBSYSA-N. The full InChI is InChI=1S/C10H9F4NO2/c1-4(16)3-15-10(17)5-2-6(11)8(13)9(14)7(5)12/h2,4,16H,3H2,1H3,(H,15,17)/t4-/m1/s1.
What are the key properties of 2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide?
2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide has a molecular weight of 251.18 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrafluoro-N-[(2R)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 83058281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).