2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide

C11H13Br2NO2 — CID 114371947

IUPAC2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCC(CO)NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H13Br2NO2/c1-2-8(6-15)14-11(16)9-5-7(12)3-4-10(9)13/h3-5,8,15H,2,6H2,1H3,(H,14,16)
InChIKeyXTIDPXBGNUSDQV-UHFFFAOYSA-N
MW351.04 g/mol
LogP2.71
Rot. Bonds4

About 2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide

2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide (PubChem CID 114371947) has the molecular formula C11H13Br2NO2 and a molecular weight of 351.04 g/mol. Its IUPAC name is 2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide
PubChem CID114371947
Molecular FormulaC11H13Br2NO2
Molecular Weight351.04 g/mol
Exact Mass348.93
IUPAC Name2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide
SMILESCCC(CO)NC(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H13Br2NO2/c1-2-8(6-15)14-11(16)9-5-7(12)3-4-10(9)13/h3-5,8,15H,2,6H2,1H3,(H,14,16)
InChIKeyXTIDPXBGNUSDQV-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.04
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103919695
5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 107211516
2-bromo-N-[(2R)-1-hydroxybutan-2-yl]-5-nitrobenzamide
CID 94056788
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
5-bromo-2-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 103919732
2,5-dibromo-N-(1-chloro-3-methoxypropan-2-yl)benzamide
CID 106182630
4-bromo-2-fluoro-N-pentan-3-ylbenzamide
CID 24698331
2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 104920633
ethyl 2-[(2,5-dibromobenzoyl)amino]propanoate
CID 114372027
N-(1-aminobutan-2-yl)-2-bromo-5-methylbenzamide
CID 81111665
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]-2,5-dibromobenzamide
CID 114375216
4-bromo-N-(1,3-dihydroxypropan-2-yl)-2-sulfanylbenzamide
CID 107031178

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide?
The IUPAC name of 2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide (CID 114371947) is 2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide is CCC(CO)NC(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide?
The InChIKey is XTIDPXBGNUSDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NO2/c1-2-8(6-15)14-11(16)9-5-7(12)3-4-10(9)13/h3-5,8,15H,2,6H2,1H3,(H,14,16).
What are the key properties of 2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide?
2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide has a molecular weight of 351.04 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 114371947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).