3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide

C10H11Br2NO2 — CID 103909431

IUPAC3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
SMILESC[C@H](O)CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H11Br2NO2/c1-6(14)5-13-10(15)7-2-8(11)4-9(12)3-7/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m0/s1
InChIKeyMGQPDDUJQOFKGU-LURJTMIESA-N
MW337.01 g/mol
LogP2.32
Rot. Bonds3

About 3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide

3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide (PubChem CID 103909431) has the molecular formula C10H11Br2NO2 and a molecular weight of 337.01 g/mol. Its IUPAC name is 3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
PubChem CID103909431
Molecular FormulaC10H11Br2NO2
Molecular Weight337.01 g/mol
Exact Mass334.92
IUPAC Name3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide
SMILESC[C@H](O)CNC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H11Br2NO2/c1-6(14)5-13-10(15)7-2-8(11)4-9(12)3-7/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m0/s1
InChIKeyMGQPDDUJQOFKGU-LURJTMIESA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.01
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,5-dibromo-N-[(2S)-2-hydroxypropyl]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

3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
3,5-dibromo-N-(2-hydroxy-3-methylbutyl)benzamide
CID 113349811
3-bromo-N-[(2R)-2-hydroxypropyl]-5-nitrobenzamide
CID 83032262
3,5-dibromo-N-(2-hydroxypentyl)benzamide
CID 103909287
3,5-dibromo-N-(2-chlorobutyl)benzamide
CID 107975285
4-bromo-N-[(2R)-2-hydroxypropyl]-3,5-dimethoxybenzamide
CID 83031498
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
5-bromo-N-(2-hydroxypropyl)thiophene-3-carboxamide
CID 43418201
3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107940200
3-bromo-5-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906385
4-amino-3-bromo-N-[(2R)-2-hydroxypropyl]benzamide
CID 107220998
3-[(3-bromo-5-methylbenzoyl)amino]-2-hydroxypropanoic acid
CID 104850828

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide?
The IUPAC name of 3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide (CID 103909431) is 3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide is C[C@H](O)CNC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide?
The InChIKey is MGQPDDUJQOFKGU-LURJTMIESA-N. The full InChI is InChI=1S/C10H11Br2NO2/c1-6(14)5-13-10(15)7-2-8(11)4-9(12)3-7/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m0/s1.
What are the key properties of 3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide?
3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide has a molecular weight of 337.01 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-N-[(2S)-2-hydroxypropyl]benzamide is sourced from PubChem (CID 103909431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).