4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide

C10H11BrN2O3 — CID 47435886

IUPAC4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C10H11BrN2O3/c1-12-9(15)5-13-10(16)7-3-2-6(11)4-8(7)14/h2-4,14H,5H2,1H3,(H,12,15)(H,13,16)
InChIKeyMMWAWOPUEHIBEN-UHFFFAOYSA-N
MW287.11 g/mol
LogP0.63
Rot. Bonds3

About 4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide

4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 47435886) has the molecular formula C10H11BrN2O3 and a molecular weight of 287.11 g/mol. Its IUPAC name is 4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID47435886
Molecular FormulaC10H11BrN2O3
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CNC(=O)c1ccc(Br)cc1O
InChIInChI=1S/C10H11BrN2O3/c1-12-9(15)5-13-10(16)7-3-2-6(11)4-8(7)14/h2-4,14H,5H2,1H3,(H,12,15)(H,13,16)
InChIKeyMMWAWOPUEHIBEN-UHFFFAOYSA-N
XLogP0.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 79714359
5-bromo-2-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 65306886
4-bromo-2-methoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 78987486
N-(2-amino-2-hydroxyiminoethyl)-4-bromo-2-hydroxybenzamide
CID 76922753
4-bromo-2-hydroxy-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65110103
4-bromo-2-hydroxy-N-(4-methylpentyl)benzamide
CID 63528181
4-bromo-2-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906485
4-bromo-2-hydroxy-N-[(2-hydroxyphenyl)methyl]benzamide
CID 115598731
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-hydroxybenzamide
CID 83120499
2-bromo-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 18106416
4-bromo-2-hydroxy-N-(2-propan-2-yloxyethyl)benzamide
CID 113429309
(2S)-3-[(4-bromo-2-hydroxybenzoyl)amino]-2-hydroxypropanoic acid
CID 107833831

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide (CID 47435886) is 4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CNC(=O)c1ccc(Br)cc1O.
What is the InChIKey of 4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is MMWAWOPUEHIBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3/c1-12-9(15)5-13-10(16)7-3-2-6(11)4-8(7)14/h2-4,14H,5H2,1H3,(H,12,15)(H,13,16).
What are the key properties of 4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide?
4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 287.11 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-hydroxy-N-[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 47435886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).