3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide

C10H9BrF3NO2 — CID 103770519

IUPAC3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide
SMILESO=C(NCC(O)C(F)F)c1cc(F)cc(Br)c1
InChIInChI=1S/C10H9BrF3NO2/c11-6-1-5(2-7(12)3-6)10(17)15-4-8(16)9(13)14/h1-3,8-9,16H,4H2,(H,15,17)
InChIKeyKDQXZCBYIPCOLO-UHFFFAOYSA-N
MW312.09 g/mol
LogP1.94
Rot. Bonds4

About 3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide

3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide (PubChem CID 103770519) has the molecular formula C10H9BrF3NO2 and a molecular weight of 312.09 g/mol. Its IUPAC name is 3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide.

Molecular Properties

Compound Name3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide
PubChem CID103770519
Molecular FormulaC10H9BrF3NO2
Molecular Weight312.09 g/mol
Exact Mass310.98
IUPAC Name3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide
SMILESO=C(NCC(O)C(F)F)c1cc(F)cc(Br)c1
InChIInChI=1S/C10H9BrF3NO2/c11-6-1-5(2-7(12)3-6)10(17)15-4-8(16)9(13)14/h1-3,8-9,16H,4H2,(H,15,17)
InChIKeyKDQXZCBYIPCOLO-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-aminobutyl)-3-bromo-5-fluorobenzamide
CID 63731163
3-bromo-5-fluoro-N-(3-hydroxypentyl)benzamide
CID 113259409
3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide
CID 113349811
3-bromo-N-(2-bromo-2-phenylethyl)-5-fluorobenzamide
CID 114308397
3-bromo-N-(2-chloro-4-methylpentyl)-5-fluorobenzamide
CID 107157516
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-5-fluorobenzamide
CID 62666899
2-bromo-N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 103770404
3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
CID 103909431
3-bromo-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-fluorobenzamide
CID 55713696
3-bromo-5-fluoro-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 110620744
N-(3,3-difluoro-2-hydroxypropyl)pyridine-4-carboxamide
CID 103770299
4-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzamide
CID 103770168

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide?
The IUPAC name of 3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide (CID 103770519) is 3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide.
What is the SMILES notation for 3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide?
The canonical SMILES for 3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide is O=C(NCC(O)C(F)F)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide?
The InChIKey is KDQXZCBYIPCOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO2/c11-6-1-5(2-7(12)3-6)10(17)15-4-8(16)9(13)14/h1-3,8-9,16H,4H2,(H,15,17).
What are the key properties of 3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide?
3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide has a molecular weight of 312.09 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3,3-difluoro-2-hydroxypropyl)-5-fluorobenzamide is sourced from PubChem (CID 103770519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).