4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide

C11H14BrNO3 — CID 167892759

IUPAC4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide
SMILESCC[C@H](O)COc1cc(C(N)=O)ccc1Br
InChIInChI=1S/C11H14BrNO3/c1-2-8(14)6-16-10-5-7(11(13)15)3-4-9(10)12/h3-5,8,14H,2,6H2,1H3,(H2,13,15)/t8-/m0/s1
InChIKeyQQLTZTOJEFASLW-QMMMGPOBSA-N
MW288.14 g/mol
LogP1.70
Rot. Bonds5

About 4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide

4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide (PubChem CID 167892759) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide.

Molecular Properties

Compound Name4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide
PubChem CID167892759
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide
SMILESCC[C@H](O)COc1cc(C(N)=O)ccc1Br
InChIInChI=1S/C11H14BrNO3/c1-2-8(14)6-16-10-5-7(11(13)15)3-4-9(10)12/h3-5,8,14H,2,6H2,1H3,(H2,13,15)/t8-/m0/s1
InChIKeyQQLTZTOJEFASLW-QMMMGPOBSA-N
XLogP1.70
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide 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

1-(2-bromo-5-nitrophenoxy)butan-2-ol
CID 102977771
4-(2-hydroxybutoxy)-3-(trifluoromethyl)benzoic acid
CID 63320571
2-[(2R)-2-hydroxybutoxy]-5-methoxybenzamide
CID 129393106
1-[4-bromo-3-(2,2-difluoroethoxy)phenyl]-2-methylsulfanylethanone
CID 57069379
2-[(2S)-2-hydroxybutoxy]-5-methoxybenzamide
CID 129393105
1-(2-bromo-4-fluorophenoxy)butan-2-ol
CID 60880483
1-(2-bromo-4-chlorophenoxy)butan-2-ol
CID 60880670
3-chloro-4-[(2R)-2,3-dihydroxypropoxy]benzamide
CID 69145581
4-[(5-amino-2-bromophenoxy)methyl]-3-fluorobenzamide
CID 103009131
3-(5-amino-2-bromophenoxy)propane-1,2-diol
CID 103008699
1-(4-bromo-2-chlorophenoxy)butan-2-ol
CID 60878201
ethyl 4-[(2S)-2-hydroxybutoxy]benzoate
CID 15106108

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide?
The IUPAC name of 4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide (CID 167892759) is 4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide.
What is the SMILES notation for 4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide?
The canonical SMILES for 4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide is CC[C@H](O)COc1cc(C(N)=O)ccc1Br.
What is the InChIKey of 4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide?
The InChIKey is QQLTZTOJEFASLW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-2-8(14)6-16-10-5-7(11(13)15)3-4-9(10)12/h3-5,8,14H,2,6H2,1H3,(H2,13,15)/t8-/m0/s1.
What are the key properties of 4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide?
4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide has a molecular weight of 288.14 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(2S)-2-hydroxybutoxy]benzamide is sourced from PubChem (CID 167892759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).