methyl 2-[(2-amino-4-bromo-5-chloro-3-fluorobenzoyl)amino]acetate

C10H9BrClFN2O3 — CID 135283708

IUPACmethyl 2-[(2-amino-4-bromo-5-chloro-3-fluorobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(Cl)c(Br)c(F)c1N
InChIInChI=1S/C10H9BrClFN2O3/c1-18-6(16)3-15-10(17)4-2-5(12)7(11)8(13)9(4)14/h2H,3,14H2,1H3,(H,15,17)
InChIKeyVTJOXUPAVDMERR-UHFFFAOYSA-N
MW339.55 g/mol
LogP1.73
Rot. Bonds3

About methyl 2-[(2-amino-4-bromo-5-chloro-3-fluorobenzoyl)amino]acetate

methyl 2-[(2-amino-4-bromo-5-chloro-3-fluorobenzoyl)amino]acetate (PubChem CID 135283708) has the molecular formula C10H9BrClFN2O3 and a molecular weight of 339.55 g/mol. Its IUPAC name is methyl 2-[(2-amino-4-bromo-5-chloro-3-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-amino-4-bromo-5-chloro-3-fluorobenzoyl)amino]acetate
PubChem CID135283708
Molecular FormulaC10H9BrClFN2O3
Molecular Weight339.55 g/mol
Exact Mass337.95
IUPAC Namemethyl 2-[(2-amino-4-bromo-5-chloro-3-fluorobenzoyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1cc(Cl)c(Br)c(F)c1N
InChIInChI=1S/C10H9BrClFN2O3/c1-18-6(16)3-15-10(17)4-2-5(12)7(11)8(13)9(4)14/h2H,3,14H2,1H3,(H,15,17)
InChIKeyVTJOXUPAVDMERR-UHFFFAOYSA-N
XLogP1.73
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.55
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze methyl 2-[(2-amino-4-bromo-5-chloro-3-fluorobenzoyl)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

methyl 2-[(3-amino-4-bromo-5-chloro-2-fluorophenyl)sulfonylamino]acetate
CID 103077167
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
methyl 2-[(2,5-dichloro-4-methylsulfanylbenzoyl)amino]acetate
CID 59888546
methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate
CID 80954153
methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate
CID 531421
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
ethyl 2-[(2-amino-4,5-dichlorobenzoyl)amino]acetate
CID 139749941
methyl 2-[(5-amino-2-methylbenzoyl)amino]acetate
CID 61291717
methyl 2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]acetate
CID 27682431
methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
CID 47421773
methyl 2-[(5-chloro-2-iodobenzoyl)amino]acetate
CID 47190528
methyl 2-[[4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carbonyl]amino]acetate
CID 175232153

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-4-bromo-5-chloro-3-fluorobenzoyl)amino]acetate?
The IUPAC name of methyl 2-[(2-amino-4-bromo-5-chloro-3-fluorobenzoyl)amino]acetate (CID 135283708) is methyl 2-[(2-amino-4-bromo-5-chloro-3-fluorobenzoyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-amino-4-bromo-5-chloro-3-fluorobenzoyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-amino-4-bromo-5-chloro-3-fluorobenzoyl)amino]acetate is COC(=O)CNC(=O)c1cc(Cl)c(Br)c(F)c1N.
What is the InChIKey of methyl 2-[(2-amino-4-bromo-5-chloro-3-fluorobenzoyl)amino]acetate?
The InChIKey is VTJOXUPAVDMERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFN2O3/c1-18-6(16)3-15-10(17)4-2-5(12)7(11)8(13)9(4)14/h2H,3,14H2,1H3,(H,15,17).
What are the key properties of methyl 2-[(2-amino-4-bromo-5-chloro-3-fluorobenzoyl)amino]acetate?
methyl 2-[(2-amino-4-bromo-5-chloro-3-fluorobenzoyl)amino]acetate has a molecular weight of 339.55 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-4-bromo-5-chloro-3-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 135283708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).