3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide

C10H11Br2NO2 — CID 103909357

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

About 3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide

3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide (PubChem CID 103909357) has the molecular formula C10H11Br2NO2 and a molecular weight of 337.01 g/mol. Its IUPAC name is 3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide.

Molecular Properties

Compound Name3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
PubChem CID103909357
Molecular FormulaC10H11Br2NO2
Molecular Weight337.01 g/mol
Exact Mass334.92
IUPAC Name3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide
SMILESC[C@@H](CO)NC(=O)c1cc(Br)cc(Br)c1
InChIInChI=1S/C10H11Br2NO2/c1-6(5-14)13-10(15)7-2-8(11)4-9(12)3-7/h2-4,6,14H,5H2,1H3,(H,13,15)/t6-/m0/s1
InChIKeyACYJMCJZNXUNBC-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

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Related Compounds

3-bromo-5-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 43476832
3,5-dibromo-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 107973108
3,5-dibromo-N-(4-methoxybutan-2-yl)benzamide
CID 103908423
N-(4-amino-4-sulfanylidenebutan-2-yl)-3,5-dibromobenzamide
CID 114022621
3,5-dibromo-N-(2-methylpentan-3-yl)benzamide
CID 107980373
3,5-dibromo-N-(3-methylbutan-2-yl)benzamide
CID 107980064
2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid
CID 107971162
3-bromo-5-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79246230
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244
3-bromo-N-[(2R,3R)-4-hydroxy-3-methylbutan-2-yl]-5-methylbenzamide
CID 99636875
3,5-dibromo-N-[1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 103907452
3,5-dibromo-N-(1-bromo-4-methylpentan-2-yl)benzamide
CID 107975115

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide?
The IUPAC name of 3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide (CID 103909357) is 3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide.
What is the SMILES notation for 3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide?
The canonical SMILES for 3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide is C[C@@H](CO)NC(=O)c1cc(Br)cc(Br)c1.
What is the InChIKey of 3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]benzamide?
The InChIKey is ACYJMCJZNXUNBC-LURJTMIESA-N. The full InChI is InChI=1S/C10H11Br2NO2/c1-6(5-14)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)-1-hydroxypropan-2-yl]benzamide?
3,5-dibromo-N-[(2S)-1-hydroxypropan-2-yl]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)-1-hydroxypropan-2-yl]benzamide is sourced from PubChem (CID 103909357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).