ethyl 2-[(2-bromobenzoyl)-methylamino]acetate

C12H14BrNO3 — CID 54982790

IUPACethyl 2-[(2-bromobenzoyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccccc1Br
InChIInChI=1S/C12H14BrNO3/c1-3-17-11(15)8-14(2)12(16)9-6-4-5-7-10(9)13/h4-7H,3,8H2,1-2H3
InChIKeyFQPKGVVKAKLULP-UHFFFAOYSA-N
MW300.15 g/mol
LogP2.08
Rot. Bonds4

About ethyl 2-[(2-bromobenzoyl)-methylamino]acetate

ethyl 2-[(2-bromobenzoyl)-methylamino]acetate (PubChem CID 54982790) has the molecular formula C12H14BrNO3 and a molecular weight of 300.15 g/mol. Its IUPAC name is ethyl 2-[(2-bromobenzoyl)-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-bromobenzoyl)-methylamino]acetate
PubChem CID54982790
Molecular FormulaC12H14BrNO3
Molecular Weight300.15 g/mol
Exact Mass299.02
IUPAC Nameethyl 2-[(2-bromobenzoyl)-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)c1ccccc1Br
InChIInChI=1S/C12H14BrNO3/c1-3-17-11(15)8-14(2)12(16)9-6-4-5-7-10(9)13/h4-7H,3,8H2,1-2H3
InChIKeyFQPKGVVKAKLULP-UHFFFAOYSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.15
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2-hydroxybenzoyl)-methylamino]acetate
CID 60584835
ethyl 2-[methyl-(2-methylbenzoyl)amino]acetate
CID 54785112
2-bromo-N-ethyl-N-methylbenzamide
CID 43243486
ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate
CID 54785098
ethyl 2-[[2-(4-fluorobenzoyl)benzoyl]-methylamino]acetate
CID 21463059
ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate
CID 54785153
ethyl 2-[methyl-(4-phenylbenzoyl)amino]acetate
CID 54785078
ethyl 2-[(5-amino-2-methylbenzoyl)-methylamino]acetate
CID 54969504
2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8500775
ethyl 2-[(2-hydroxy-3-nitrobenzoyl)-methylamino]acetate
CID 103746415
2-bromo-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 28799501
ethyl 2-[[2-(3,5-ditert-butyl-4-hydroxybenzoyl)benzoyl]-methylamino]acetate
CID 19090544

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-bromobenzoyl)-methylamino]acetate?
The IUPAC name of ethyl 2-[(2-bromobenzoyl)-methylamino]acetate (CID 54982790) is ethyl 2-[(2-bromobenzoyl)-methylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-bromobenzoyl)-methylamino]acetate?
The canonical SMILES for ethyl 2-[(2-bromobenzoyl)-methylamino]acetate is CCOC(=O)CN(C)C(=O)c1ccccc1Br.
What is the InChIKey of ethyl 2-[(2-bromobenzoyl)-methylamino]acetate?
The InChIKey is FQPKGVVKAKLULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO3/c1-3-17-11(15)8-14(2)12(16)9-6-4-5-7-10(9)13/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[(2-bromobenzoyl)-methylamino]acetate?
ethyl 2-[(2-bromobenzoyl)-methylamino]acetate has a molecular weight of 300.15 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-bromobenzoyl)-methylamino]acetate is sourced from PubChem (CID 54982790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).