3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide

C10H9BrF3NO2 — CID 106548223

IUPAC3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide
SMILESO=C(NCC(F)(F)CO)c1cccc(Br)c1F
InChIInChI=1S/C10H9BrF3NO2/c11-7-3-1-2-6(8(7)12)9(17)15-4-10(13,14)5-16/h1-3,16H,4-5H2,(H,15,17)
InChIKeyIPVNUWXAISHQOY-UHFFFAOYSA-N
MW312.09 g/mol
LogP1.95
Rot. Bonds4

About 3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide

3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide (PubChem CID 106548223) has the molecular formula C10H9BrF3NO2 and a molecular weight of 312.09 g/mol. Its IUPAC name is 3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide
PubChem CID106548223
Molecular FormulaC10H9BrF3NO2
Molecular Weight312.09 g/mol
Exact Mass310.98
IUPAC Name3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide
SMILESO=C(NCC(F)(F)CO)c1cccc(Br)c1F
InChIInChI=1S/C10H9BrF3NO2/c11-7-3-1-2-6(8(7)12)9(17)15-4-10(13,14)5-16/h1-3,16H,4-5H2,(H,15,17)
InChIKeyIPVNUWXAISHQOY-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide
CID 107956309
3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 106548063
N-(2,2-difluoro-3-hydroxypropyl)naphthalene-1-carboxamide
CID 104858075
3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide
CID 106548051
4-[(3-bromo-2-fluorobenzoyl)amino]butanoic acid
CID 107948926
N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide
CID 104857085
3-bromo-2-fluoro-N-(6-iodohexyl)benzamide
CID 114020519
N-(2,2-difluoro-3-hydroxypropyl)-2,3-dimethoxybenzamide
CID 104857991
N-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-2-oxoethyl]-2-fluorobenzamide
CID 104864887
N-(2,2-difluoro-3-hydroxypropyl)-2-(difluoromethylsulfanyl)benzamide
CID 104857627
3-bromo-N-[(5-ethylthiophen-2-yl)methyl]-2-fluorobenzamide
CID 106544261

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide?
The IUPAC name of 3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide (CID 106548223) is 3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide is O=C(NCC(F)(F)CO)c1cccc(Br)c1F.
What is the InChIKey of 3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide?
The InChIKey is IPVNUWXAISHQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO2/c11-7-3-1-2-6(8(7)12)9(17)15-4-10(13,14)5-16/h1-3,16H,4-5H2,(H,15,17).
What are the key properties of 3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide?
3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide has a molecular weight of 312.09 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-2-fluorobenzamide is sourced from PubChem (CID 106548223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).