[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate

C19H19BrN2O5 — CID 30055669

IUPAC[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C19H19BrN2O5/c1-12-9-13(20)7-8-15(12)22-17(23)11-27-18(24)10-21-19(25)14-5-3-4-6-16(14)26-2/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyUBLHLAXBZQFPHG-UHFFFAOYSA-N
MW435.27 g/mol
LogP2.68
Rot. Bonds7

About [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate

[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate (PubChem CID 30055669) has the molecular formula C19H19BrN2O5 and a molecular weight of 435.27 g/mol. Its IUPAC name is [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
PubChem CID30055669
Molecular FormulaC19H19BrN2O5
Molecular Weight435.27 g/mol
Exact Mass434.05
IUPAC Name[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
SMILESCOc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C19H19BrN2O5/c1-12-9-13(20)7-8-15(12)22-17(23)11-27-18(24)10-21-19(25)14-5-3-4-6-16(14)26-2/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,23)
InChIKeyUBLHLAXBZQFPHG-UHFFFAOYSA-N
XLogP2.68
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2,4-difluorobenzoyl)amino]acetate
CID 30314995
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515914
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26686342
[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 42459667
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807853
[2-(2-methoxyanilino)-2-oxoethyl] 2-[[2-(difluoromethoxy)benzoyl]amino]acetate
CID 7771051
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 24544481
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7485046
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885360
N-[2-(4-bromoanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26537380
[2-oxo-2-(4-phenyldiazenylanilino)ethyl] 2-[(2-methoxybenzoyl)amino]acetate
CID 42970225
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903826

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The IUPAC name of [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate (CID 30055669) is [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate is COc1ccccc1C(=O)NCC(=O)OCC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
The InChIKey is UBLHLAXBZQFPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O5/c1-12-9-13(20)7-8-15(12)22-17(23)11-27-18(24)10-21-19(25)14-5-3-4-6-16(14)26-2/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,23).
What are the key properties of [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate?
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate has a molecular weight of 435.27 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-[(2-methoxybenzoyl)amino]acetate is sourced from PubChem (CID 30055669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).