2-bromo-N-[(2R)-1-hydroxybutan-2-yl]benzamide

C11H14BrNO2 — CID 57398528

IUPAC2-bromo-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1ccccc1Br
InChIInChI=1S/C11H14BrNO2/c1-2-8(7-14)13-11(15)9-5-3-4-6-10(9)12/h3-6,8,14H,2,7H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyGEKMBHNFONLMET-MRVPVSSYSA-N
MW272.14 g/mol
LogP1.95
Rot. Bonds4

About 2-bromo-N-[(2R)-1-hydroxybutan-2-yl]benzamide

2-bromo-N-[(2R)-1-hydroxybutan-2-yl]benzamide (PubChem CID 57398528) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 2-bromo-N-[(2R)-1-hydroxybutan-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(2R)-1-hydroxybutan-2-yl]benzamide
PubChem CID57398528
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name2-bromo-N-[(2R)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@H](CO)NC(=O)c1ccccc1Br
InChIInChI=1S/C11H14BrNO2/c1-2-8(7-14)13-11(15)9-5-3-4-6-10(9)12/h3-6,8,14H,2,7H2,1H3,(H,13,15)/t8-/m1/s1
InChIKeyGEKMBHNFONLMET-MRVPVSSYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The IUPAC name of 2-bromo-N-[(2R)-1-hydroxybutan-2-yl]benzamide (CID 57398528) is 2-bromo-N-[(2R)-1-hydroxybutan-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-[(2R)-1-hydroxybutan-2-yl]benzamide is CC[C@H](CO)NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
The InChIKey is GEKMBHNFONLMET-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-2-8(7-14)13-11(15)9-5-3-4-6-10(9)12/h3-6,8,14H,2,7H2,1H3,(H,13,15)/t8-/m1/s1.
What are the key properties of 2-bromo-N-[(2R)-1-hydroxybutan-2-yl]benzamide?
2-bromo-N-[(2R)-1-hydroxybutan-2-yl]benzamide has a molecular weight of 272.14 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2R)-1-hydroxybutan-2-yl]benzamide is sourced from PubChem (CID 57398528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).