5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide

C11H15BrN2O2 — CID 107211516

IUPAC5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@@H](CO)NC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C11H15BrN2O2/c1-2-8(6-15)14-11(16)9-5-7(13)3-4-10(9)12/h3-5,8,15H,2,6,13H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyOEXRNRLQJQXBGN-QMMMGPOBSA-N
MW287.16 g/mol
LogP1.53
Rot. Bonds4

About 5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide

5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide (PubChem CID 107211516) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide
PubChem CID107211516
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide
SMILESCC[C@@H](CO)NC(=O)c1cc(N)ccc1Br
InChIInChI=1S/C11H15BrN2O2/c1-2-8(6-15)14-11(16)9-5-7(13)3-4-10(9)12/h3-5,8,15H,2,6,13H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyOEXRNRLQJQXBGN-QMMMGPOBSA-N
XLogP1.53
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(1-hydroxybutan-2-yl)benzamide
CID 114371947
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylbenzamide
CID 107211238
5-amino-2-bromo-N-(1-hydroxy-3-phenylpropan-2-yl)benzamide
CID 63260701
5-amino-2-bromo-N-octan-4-ylbenzamide
CID 106021624
4-amino-2-chloro-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 93081059
2-bromo-N-[(2R)-1-hydroxybutan-2-yl]-5-nitrobenzamide
CID 94056788
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 107211525
6-amino-N-[(2R)-1-hydroxybutan-2-yl]-1H-indole-3-carboxamide
CID 107211217
N-(1-aminobutan-2-yl)-2-bromo-5-methylbenzamide
CID 81111665
5-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyridine-3-carboxamide
CID 93467826
2-bromo-N-[(2S)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 105342980
5-amino-2-bromo-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 115297455

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide?
The IUPAC name of 5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide (CID 107211516) is 5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide.
What is the SMILES notation for 5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide?
The canonical SMILES for 5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide is CC[C@@H](CO)NC(=O)c1cc(N)ccc1Br.
What is the InChIKey of 5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide?
The InChIKey is OEXRNRLQJQXBGN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-2-8(6-15)14-11(16)9-5-7(13)3-4-10(9)12/h3-5,8,15H,2,6,13H2,1H3,(H,14,16)/t8-/m0/s1.
What are the key properties of 5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide?
5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide has a molecular weight of 287.16 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-[(2S)-1-hydroxybutan-2-yl]benzamide is sourced from PubChem (CID 107211516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).