4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide

C12H14BrNO2 — CID 47435885

IUPAC4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide
SMILESO=C(NCC1CCC1)c1ccc(Br)cc1O
InChIInChI=1S/C12H14BrNO2/c13-9-4-5-10(11(15)6-9)12(16)14-7-8-2-1-3-8/h4-6,8,15H,1-3,7H2,(H,14,16)
InChIKeyXSCZLQLAKUSUSC-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.68
Rot. Bonds3

About 4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide

4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide (PubChem CID 47435885) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is 4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide.

Molecular Properties

Compound Name4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide
PubChem CID47435885
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC Name4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide
SMILESO=C(NCC1CCC1)c1ccc(Br)cc1O
InChIInChI=1S/C12H14BrNO2/c13-9-4-5-10(11(15)6-9)12(16)14-7-8-2-1-3-8/h4-6,8,15H,1-3,7H2,(H,14,16)
InChIKeyXSCZLQLAKUSUSC-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 38655696
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5-bromo-2-hydroxy-N-(thian-4-ylmethyl)benzamide
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4-bromo-N-[(3-chlorocyclohexyl)methyl]-2-methoxybenzamide
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2,4-dibromo-N-(piperidin-4-ylmethyl)benzamide
CID 114018481
4-bromo-N-(cyclobutylmethyl)-2-hydroxy-N-methylbenzamide
CID 62861367
N-(cyclohexylmethyl)-2,3-dihydroxybenzamide
CID 56679854
5-bromo-2-hydroxy-N-[(2-hydroxycyclopentyl)methyl]benzamide
CID 103727506
5-bromo-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103690984
6-bromo-N-(cyclohexylmethyl)naphthalene-2-carboxamide
CID 115353943
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106137131

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide?
The IUPAC name of 4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide (CID 47435885) is 4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide.
What is the SMILES notation for 4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide?
The canonical SMILES for 4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide is O=C(NCC1CCC1)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide?
The InChIKey is XSCZLQLAKUSUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-9-4-5-10(11(15)6-9)12(16)14-7-8-2-1-3-8/h4-6,8,15H,1-3,7H2,(H,14,16).
What are the key properties of 4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide?
4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide has a molecular weight of 284.15 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(cyclobutylmethyl)-2-hydroxybenzamide is sourced from PubChem (CID 47435885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).