4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

C10H9BrF3NO3 — CID 103830624

IUPAC4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc(Br)c(O)c1
InChIInChI=1S/C10H9BrF3NO3/c11-6-2-1-5(3-7(6)16)9(18)15-4-8(17)10(12,13)14/h1-3,8,16-17H,4H2,(H,15,18)
InChIKeyLCIINLCEOJIZID-UHFFFAOYSA-N
MW328.08 g/mol
LogP1.81
Rot. Bonds3

About 4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide

4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (PubChem CID 103830624) has the molecular formula C10H9BrF3NO3 and a molecular weight of 328.08 g/mol. Its IUPAC name is 4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
PubChem CID103830624
Molecular FormulaC10H9BrF3NO3
Molecular Weight328.08 g/mol
Exact Mass326.97
IUPAC Name4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc(Br)c(O)c1
InChIInChI=1S/C10H9BrF3NO3/c11-6-2-1-5(3-7(6)16)9(18)15-4-8(17)10(12,13)14/h1-3,8,16-17H,4H2,(H,15,18)
InChIKeyLCIINLCEOJIZID-UHFFFAOYSA-N
XLogP1.81
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.08
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113358595
4-bromo-3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103773770
4-hydroxy-3-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103957412
4-bromo-3-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 103830485
4-bromo-3-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 103873277
4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103876622
3-chloro-4-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 113263684
2-bromo-N-(3,3,3-trifluoro-2-hydroxypropyl)-5-(trifluoromethyl)benzamide
CID 103819616
4-bromo-3-hydroxy-N-(4,4,4-trifluorobutyl)benzamide
CID 103873578
2,4-dibromo-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103883092
5-[(4-bromo-3-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 114103351
3-hydroxy-N-(2-hydroxy-3,3-dimethylbutyl)-4-methylbenzamide
CID 110016294

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The IUPAC name of 4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide (CID 103830624) is 4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide.
What is the SMILES notation for 4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The canonical SMILES for 4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is O=C(NCC(O)C(F)(F)F)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
The InChIKey is LCIINLCEOJIZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO3/c11-6-2-1-5(3-7(6)16)9(18)15-4-8(17)10(12,13)14/h1-3,8,16-17H,4H2,(H,15,18).
What are the key properties of 4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide?
4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide has a molecular weight of 328.08 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-hydroxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide is sourced from PubChem (CID 103830624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).