(2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate

C18H16BrNO5 — CID 9063804

IUPAC(2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)NC(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C18H16BrNO5/c1-12-7-8-15(14(19)9-12)24-11-17(22)25-10-16(21)20-18(23)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,20,21,23)
InChIKeyXCVKULXOKZWQHT-UHFFFAOYSA-N
MW406.23 g/mol
LogP2.64
Rot. Bonds6

About (2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate

(2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate (PubChem CID 9063804) has the molecular formula C18H16BrNO5 and a molecular weight of 406.23 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate
PubChem CID9063804
Molecular FormulaC18H16BrNO5
Molecular Weight406.23 g/mol
Exact Mass405.02
IUPAC Name(2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)NC(=O)c2ccccc2)c(Br)c1
InChIInChI=1S/C18H16BrNO5/c1-12-7-8-15(14(19)9-12)24-11-17(22)25-10-16(21)20-18(23)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,20,21,23)
InChIKeyXCVKULXOKZWQHT-UHFFFAOYSA-N
XLogP2.64
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-(2-bromo-4-methylphenoxy)acetate
CID 9063759
(2-benzamido-2-oxoethyl) 2-(2-propan-2-ylphenoxy)acetate
CID 7903758
(2-benzamido-2-oxoethyl) 2-naphthalen-1-yloxyacetate
CID 35862747
2-(2-bromo-4-methylphenoxy)-N'-(1-phenylprop-1-enyl)acetohydrazide
CID 4280301
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
(2-benzamido-2-oxoethyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8527714
2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 7949226
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7570439
(2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519727
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 2-(2,5-dimethylphenoxy)acetate
CID 8918280
butyl 2-(2-bromo-4-methylphenoxy)acetate
CID 54940989
2-(2-bromo-4-methylphenoxy)-N-[[(2-methylbenzoyl)amino]carbamothioyl]acetamide
CID 4503887

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate (CID 9063804) is (2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate is Cc1ccc(OCC(=O)OCC(=O)NC(=O)c2ccccc2)c(Br)c1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate?
The InChIKey is XCVKULXOKZWQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO5/c1-12-7-8-15(14(19)9-12)24-11-17(22)25-10-16(21)20-18(23)13-5-3-2-4-6-13/h2-9H,10-11H2,1H3,(H,20,21,23).
What are the key properties of (2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate?
(2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate has a molecular weight of 406.23 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2-(2-bromo-4-methylphenoxy)acetate is sourced from PubChem (CID 9063804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).