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

C11H12BrNO3 — CID 603150

IUPACethyl 2-[(2-bromobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccccc1Br
InChIInChI=1S/C11H12BrNO3/c1-2-16-10(14)7-13-11(15)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H,13,15)
InChIKeyQCNOMXREIGAWKA-UHFFFAOYSA-N
MW286.12 g/mol
LogP1.74
Rot. Bonds4

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

ethyl 2-[(2-bromobenzoyl)amino]acetate (PubChem CID 603150) has the molecular formula C11H12BrNO3 and a molecular weight of 286.12 g/mol. Its IUPAC name is ethyl 2-[(2-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-bromobenzoyl)amino]acetate
PubChem CID603150
Molecular FormulaC11H12BrNO3
Molecular Weight286.12 g/mol
Exact Mass285.00
IUPAC Nameethyl 2-[(2-bromobenzoyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1ccccc1Br
InChIInChI=1S/C11H12BrNO3/c1-2-16-10(14)7-13-11(15)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H,13,15)
InChIKeyQCNOMXREIGAWKA-UHFFFAOYSA-N
XLogP1.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzoylglycinate
CID 4402710
Methyl hippurate
CID 14566
2-Bromohippuric acid
CID 133721
Ethyl Hippurate
CID 226558
Glycine, N-(2-fluorobenzoyl)-, methyl ester
CID 531413
3-bromo-N-propylbenzamide
CID 3118655
2-Bromo-N-methylbenzamide
CID 264945
(2-Bromophenyl)(morpholino)methanone
CID 532184
2-((4-Bromophenyl)formamido)acetic acid
CID 736919
Benzamide, N-tetrahydrofurfuryl-3-bromo-
CID 531994
Glycine, N-(4-fluorobenzoyl)-, methyl ester
CID 531397
Ethyl 3-(2-bromobenzamido)propanoate
CID 662128

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-bromobenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-bromobenzoyl)amino]acetate (CID 603150) is ethyl 2-[(2-bromobenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-bromobenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-bromobenzoyl)amino]acetate is CCOC(=O)CNC(=O)c1ccccc1Br.
What is the InChIKey of ethyl 2-[(2-bromobenzoyl)amino]acetate?
The InChIKey is QCNOMXREIGAWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3/c1-2-16-10(14)7-13-11(15)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H,13,15).
What are the key properties of ethyl 2-[(2-bromobenzoyl)amino]acetate?
ethyl 2-[(2-bromobenzoyl)amino]acetate has a molecular weight of 286.12 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-bromobenzoyl)amino]acetate is sourced from PubChem (CID 603150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).