methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate

C14H18BrNO4 — CID 112822198

IUPACmethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1cc(Br)ccc1O)C(=O)OC
InChIInChI=1S/C14H18BrNO4/c1-4-7-14(2,13(19)20-3)16-12(18)10-8-9(15)5-6-11(10)17/h5-6,8,17H,4,7H2,1-3H3,(H,16,18)
InChIKeyVOAJZFMWNCRNKN-UHFFFAOYSA-N
MW344.21 g/mol
LogP2.62
Rot. Bonds5

About methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate

methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate (PubChem CID 112822198) has the molecular formula C14H18BrNO4 and a molecular weight of 344.21 g/mol. Its IUPAC name is methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate
PubChem CID112822198
Molecular FormulaC14H18BrNO4
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Namemethyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1cc(Br)ccc1O)C(=O)OC
InChIInChI=1S/C14H18BrNO4/c1-4-7-14(2,13(19)20-3)16-12(18)10-8-9(15)5-6-11(10)17/h5-6,8,17H,4,7H2,1-3H3,(H,16,18)
InChIKeyVOAJZFMWNCRNKN-UHFFFAOYSA-N
XLogP2.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3,5-dibromobenzoyl)amino]-2-methylpentanoate
CID 107973836
5-bromo-2-hydroxy-N-(3-methylpentan-3-yl)benzamide
CID 113235186
methyl 2-[(3-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoate
CID 82830810
methyl 2-[(2-bromo-4-fluorobenzoyl)amino]-2-methylpentanoate
CID 43423763
5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide
CID 107730406
5-bromo-N-(1-bromo-2-methylbutan-2-yl)-2-hydroxybenzamide
CID 107730428
methyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-2-methylpentanoate
CID 43423729
methyl 2-[(2,4-dichlorobenzoyl)amino]-2-methylpentanoate
CID 43423938
methyl 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-2-methylpentanoate
CID 43623906
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate
CID 115745717
5-bromo-N-(2-cyanobutan-2-yl)-2-hydroxybenzamide
CID 113339798
methyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate
CID 104918520

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate (CID 112822198) is methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate is CCCC(C)(NC(=O)c1cc(Br)ccc1O)C(=O)OC.
What is the InChIKey of methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate?
The InChIKey is VOAJZFMWNCRNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4/c1-4-7-14(2,13(19)20-3)16-12(18)10-8-9(15)5-6-11(10)17/h5-6,8,17H,4,7H2,1-3H3,(H,16,18).
What are the key properties of methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate?
methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate has a molecular weight of 344.21 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylpentanoate is sourced from PubChem (CID 112822198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).