4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide

C10H11BrFNO2 — CID 83030765

IUPAC4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
SMILESC[C@H](O)CNC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H11BrFNO2/c1-6(14)5-13-10(15)7-2-3-8(11)9(12)4-7/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m0/s1
InChIKeyNWHWWKHYLHMUFQ-LURJTMIESA-N
MW276.11 g/mol
LogP1.70
Rot. Bonds3

About 4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide

4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide (PubChem CID 83030765) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
PubChem CID83030765
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC Name4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
SMILESC[C@H](O)CNC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H11BrFNO2/c1-6(14)5-13-10(15)7-2-3-8(11)9(12)4-7/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m0/s1
InChIKeyNWHWWKHYLHMUFQ-LURJTMIESA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430397
N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide
CID 64540601
4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide
CID 115759502
3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
CID 42919303
3-amino-4-bromo-N-(2-hydroxypropyl)benzamide
CID 61094213
3-amino-4-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107211110
4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide
CID 111697663
3-fluoro-N-(2-hydroxypropyl)-4-nitrobenzamide
CID 55103599
4-bromo-N-(2,2-diethoxyethyl)-3-fluorobenzamide
CID 79547974
4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107220998
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide
CID 114315887

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide?
The IUPAC name of 4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide (CID 83030765) is 4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide?
The canonical SMILES for 4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide is C[C@H](O)CNC(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide?
The InChIKey is NWHWWKHYLHMUFQ-LURJTMIESA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-6(14)5-13-10(15)7-2-3-8(11)9(12)4-7/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m0/s1.
What are the key properties of 4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide?
4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide has a molecular weight of 276.11 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 83030765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).