cyanomethyl 2-[(4-bromobenzoyl)amino]acetate

C11H9BrN2O3 — CID 9364242

IUPACcyanomethyl 2-[(4-bromobenzoyl)amino]acetate
SMILESN#CCOC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2O3/c12-9-3-1-8(2-4-9)11(16)14-7-10(15)17-6-5-13/h1-4H,6-7H2,(H,14,16)
InChIKeyHCAOZOWUFCNSSO-UHFFFAOYSA-N
MW297.11 g/mol
LogP1.25
Rot. Bonds4

About cyanomethyl 2-[(4-bromobenzoyl)amino]acetate

cyanomethyl 2-[(4-bromobenzoyl)amino]acetate (PubChem CID 9364242) has the molecular formula C11H9BrN2O3 and a molecular weight of 297.11 g/mol. Its IUPAC name is cyanomethyl 2-[(4-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Namecyanomethyl 2-[(4-bromobenzoyl)amino]acetate
PubChem CID9364242
Molecular FormulaC11H9BrN2O3
Molecular Weight297.11 g/mol
Exact Mass295.98
IUPAC Namecyanomethyl 2-[(4-bromobenzoyl)amino]acetate
SMILESN#CCOC(=O)CNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C11H9BrN2O3/c12-9-3-1-8(2-4-9)11(16)14-7-10(15)17-6-5-13/h1-4H,6-7H2,(H,14,16)
InChIKeyHCAOZOWUFCNSSO-UHFFFAOYSA-N
XLogP1.25
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyanomethyl 2-[(4-chlorobenzoyl)amino]acetate
CID 4687610
cyanomethyl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854521
cyanomethyl 2-[[4-(propan-2-ylsulfamoyl)benzoyl]amino]acetate
CID 7979636
[2-(4-nitrophenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 2165374
[2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364203
[(E)-3-phenylprop-2-enyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364237
4-bromo-N-(2-cyanoethoxymethyl)benzamide
CID 71407041
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 31097520
4-bromo-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60701326
4-bromo-N-(2-oxopropyl)benzamide
CID 64997331
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 35716358
2-(3-bromophenoxy)ethyl 2-[(4-bromobenzoyl)amino]acetate
CID 2407342

Frequently Asked Questions

What is the IUPAC name of cyanomethyl 2-[(4-bromobenzoyl)amino]acetate?
The IUPAC name of cyanomethyl 2-[(4-bromobenzoyl)amino]acetate (CID 9364242) is cyanomethyl 2-[(4-bromobenzoyl)amino]acetate.
What is the SMILES notation for cyanomethyl 2-[(4-bromobenzoyl)amino]acetate?
The canonical SMILES for cyanomethyl 2-[(4-bromobenzoyl)amino]acetate is N#CCOC(=O)CNC(=O)c1ccc(Br)cc1.
What is the InChIKey of cyanomethyl 2-[(4-bromobenzoyl)amino]acetate?
The InChIKey is HCAOZOWUFCNSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O3/c12-9-3-1-8(2-4-9)11(16)14-7-10(15)17-6-5-13/h1-4H,6-7H2,(H,14,16).
What are the key properties of cyanomethyl 2-[(4-bromobenzoyl)amino]acetate?
cyanomethyl 2-[(4-bromobenzoyl)amino]acetate has a molecular weight of 297.11 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl 2-[(4-bromobenzoyl)amino]acetate is sourced from PubChem (CID 9364242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).