4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide

C11H11BrN2O2 — CID 103872840

IUPAC4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide
SMILESCC(CC#N)NC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C11H11BrN2O2/c1-7(4-5-13)14-11(16)8-2-3-9(12)10(15)6-8/h2-3,6-7,15H,4H2,1H3,(H,14,16)
InChIKeyVCTHXTNLXPZBQW-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.19
Rot. Bonds3

About 4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide

4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide (PubChem CID 103872840) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide
PubChem CID103872840
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide
SMILESCC(CC#N)NC(=O)c1ccc(Br)c(O)c1
InChIInChI=1S/C11H11BrN2O2/c1-7(4-5-13)14-11(16)8-2-3-9(12)10(15)6-8/h2-3,6-7,15H,4H2,1H3,(H,14,16)
InChIKeyVCTHXTNLXPZBQW-UHFFFAOYSA-N
XLogP2.19
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 103956790
4-bromo-N-(1-cyanobutan-2-yl)-3-hydroxybenzamide
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4-bromo-3-hydroxy-N-(4-phenylbutan-2-yl)benzamide
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N-(1-cyanopropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
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CID 55220483
N-[(2S)-1-cyanopropan-2-yl]-3-methoxy-4-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide (CID 103872840) is 4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide is CC(CC#N)NC(=O)c1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide?
The InChIKey is VCTHXTNLXPZBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-7(4-5-13)14-11(16)8-2-3-9(12)10(15)6-8/h2-3,6-7,15H,4H2,1H3,(H,14,16).
What are the key properties of 4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide?
4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide has a molecular weight of 283.12 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-cyanopropan-2-yl)-3-hydroxybenzamide is sourced from PubChem (CID 103872840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).