benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate

C14H12BrNO4 — CID 7899424

IUPACbenzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Br)o1)OCc1ccccc1
InChIInChI=1S/C14H12BrNO4/c15-12-7-6-11(20-12)14(18)16-8-13(17)19-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,18)
InChIKeySWZALORBDAJJMT-UHFFFAOYSA-N
MW338.16 g/mol
LogP2.52
Rot. Bonds5

About benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate

benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate (PubChem CID 7899424) has the molecular formula C14H12BrNO4 and a molecular weight of 338.16 g/mol. Its IUPAC name is benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
PubChem CID7899424
Molecular FormulaC14H12BrNO4
Molecular Weight338.16 g/mol
Exact Mass336.99
IUPAC Namebenzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
SMILESO=C(CNC(=O)c1ccc(Br)o1)OCc1ccccc1
InChIInChI=1S/C14H12BrNO4/c15-12-7-6-11(20-12)14(18)16-8-13(17)19-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,18)
InChIKeySWZALORBDAJJMT-UHFFFAOYSA-N
XLogP2.52
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[2-[(5-bromofuran-2-carbonyl)amino]ethyl]carbamate
CID 108571926
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
benzyl 2-benzamidoacetate;ethane
CID 142836612
5-bromo-N-[[2-(phenylmethoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 46465244
benzyl 2-[(5-methyl-1-benzofuran-2-carbonyl)amino]acetate
CID 60550544
[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 2082274
(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 7826713
2-(2-fluorophenyl)sulfanylethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899436
5-bromo-N-(2-hydrazinyl-2-oxoethyl)furan-2-carboxamide
CID 10378007
2-(4-methylphenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883797
2-(4-fluorophenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7883800
2-(3-methylphenoxy)ethyl 2-[(5-bromofuran-2-carbonyl)amino]acetate
CID 7899388

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The IUPAC name of benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate (CID 7899424) is benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate.
What is the SMILES notation for benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The canonical SMILES for benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate is O=C(CNC(=O)c1ccc(Br)o1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate?
The InChIKey is SWZALORBDAJJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4/c15-12-7-6-11(20-12)14(18)16-8-13(17)19-9-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,16,18).
What are the key properties of benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate?
benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate has a molecular weight of 338.16 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(5-bromofuran-2-carbonyl)amino]acetate is sourced from PubChem (CID 7899424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).