N-(1-bromobutan-2-yl)-4-hydroxybenzamide

C11H14BrNO2 — CID 114307598

IUPACN-(1-bromobutan-2-yl)-4-hydroxybenzamide
SMILESCCC(CBr)NC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H14BrNO2/c1-2-9(7-12)13-11(15)8-3-5-10(14)6-4-8/h3-6,9,14H,2,7H2,1H3,(H,13,15)
InChIKeyOKFKUNNEYMDECO-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.30
Rot. Bonds4

About N-(1-bromobutan-2-yl)-4-hydroxybenzamide

N-(1-bromobutan-2-yl)-4-hydroxybenzamide (PubChem CID 114307598) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is N-(1-bromobutan-2-yl)-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-bromobutan-2-yl)-4-hydroxybenzamide
PubChem CID114307598
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC NameN-(1-bromobutan-2-yl)-4-hydroxybenzamide
SMILESCCC(CBr)NC(=O)c1ccc(O)cc1
InChIInChI=1S/C11H14BrNO2/c1-2-9(7-12)13-11(15)8-3-5-10(14)6-4-8/h3-6,9,14H,2,7H2,1H3,(H,13,15)
InChIKeyOKFKUNNEYMDECO-UHFFFAOYSA-N
XLogP2.30
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromobutan-2-yl)-4-ethoxybenzamide
CID 114307651
N-(1-bromobutan-2-yl)-3,5-dichlorobenzamide
CID 114307803
N-(1-bromobutan-2-yl)pyridazine-4-carboxamide
CID 104672670
N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114307626
N-(1-bromobutan-2-yl)-3,4,5-trifluorobenzamide
CID 114307677
N-(1-bromobutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 114307617
ethane;N-ethyl-4-hydroxybenzamide
CID 144926309
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
N-(1-bromobutan-2-yl)-4-fluoro-2-hydroxybenzamide
CID 107016853
4-hydroxy-N-(3-methylbutan-2-yl)benzamide
CID 43084897
N-(1-bromopentan-3-yl)-4-hydroxy-2-methylbenzamide
CID 107673198
N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 13129547

Frequently Asked Questions

What is the IUPAC name of N-(1-bromobutan-2-yl)-4-hydroxybenzamide?
The IUPAC name of N-(1-bromobutan-2-yl)-4-hydroxybenzamide (CID 114307598) is N-(1-bromobutan-2-yl)-4-hydroxybenzamide.
What is the SMILES notation for N-(1-bromobutan-2-yl)-4-hydroxybenzamide?
The canonical SMILES for N-(1-bromobutan-2-yl)-4-hydroxybenzamide is CCC(CBr)NC(=O)c1ccc(O)cc1.
What is the InChIKey of N-(1-bromobutan-2-yl)-4-hydroxybenzamide?
The InChIKey is OKFKUNNEYMDECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-2-9(7-12)13-11(15)8-3-5-10(14)6-4-8/h3-6,9,14H,2,7H2,1H3,(H,13,15).
What are the key properties of N-(1-bromobutan-2-yl)-4-hydroxybenzamide?
N-(1-bromobutan-2-yl)-4-hydroxybenzamide has a molecular weight of 272.14 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromobutan-2-yl)-4-hydroxybenzamide is sourced from PubChem (CID 114307598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).