2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide

C11H13BrClNO2 — CID 103825446

IUPAC2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
SMILESCC(CCO)NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H13BrClNO2/c1-7(4-5-15)14-11(16)9-3-2-8(13)6-10(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
InChIKeyRJIAWMNVVWUMNN-UHFFFAOYSA-N
MW306.59 g/mol
LogP2.60
Rot. Bonds4

About 2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide

2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide (PubChem CID 103825446) has the molecular formula C11H13BrClNO2 and a molecular weight of 306.59 g/mol. Its IUPAC name is 2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
PubChem CID103825446
Molecular FormulaC11H13BrClNO2
Molecular Weight306.59 g/mol
Exact Mass304.98
IUPAC Name2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
SMILESCC(CCO)NC(=O)c1ccc(Cl)cc1Br
InChIInChI=1S/C11H13BrClNO2/c1-7(4-5-15)14-11(16)9-3-2-8(13)6-10(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16)
InChIKeyRJIAWMNVVWUMNN-UHFFFAOYSA-N
XLogP2.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.59
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 115532903
(2S)-2-[(2-bromo-4-chlorobenzoyl)amino]propanoic acid
CID 103821374
2-bromo-4-chloro-N-(3-methylpentan-2-yl)benzamide
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N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
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2-(2-bromo-4-chlorophenoxy)-N-(4-hydroxybutan-2-yl)propanamide
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2-bromo-4-chloro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103862023
3-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide
CID 103842962
2-bromo-4-chloro-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 107990240
2-bromo-4-chloro-N-pent-1-yn-3-ylbenzamide
CID 103578921
2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
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2-bromo-4-chloro-N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
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CID 107988137

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide?
The IUPAC name of 2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide (CID 103825446) is 2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide.
What is the SMILES notation for 2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide?
The canonical SMILES for 2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide is CC(CCO)NC(=O)c1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide?
The InChIKey is RJIAWMNVVWUMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2/c1-7(4-5-15)14-11(16)9-3-2-8(13)6-10(9)12/h2-3,6-7,15H,4-5H2,1H3,(H,14,16).
What are the key properties of 2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide?
2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide has a molecular weight of 306.59 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-N-(4-hydroxybutan-2-yl)benzamide is sourced from PubChem (CID 103825446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).