methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate

C12H13ClFNO3 — CID 30876006

IUPACmethyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H13ClFNO3/c1-12(2,11(17)18-3)15-10(16)8-5-4-7(14)6-9(8)13/h4-6H,1-3H3,(H,15,16)
InChIKeyWKHQHZDQLGTFBY-UHFFFAOYSA-N
MW273.69 g/mol
LogP2.16
Rot. Bonds3

About methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate

methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate (PubChem CID 30876006) has the molecular formula C12H13ClFNO3 and a molecular weight of 273.69 g/mol. Its IUPAC name is methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate
PubChem CID30876006
Molecular FormulaC12H13ClFNO3
Molecular Weight273.69 g/mol
Exact Mass273.06
IUPAC Namemethyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H13ClFNO3/c1-12(2,11(17)18-3)15-10(16)8-5-4-7(14)6-9(8)13/h4-6H,1-3H3,(H,15,16)
InChIKeyWKHQHZDQLGTFBY-UHFFFAOYSA-N
XLogP2.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate 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-[(2,5-dichlorobenzoyl)amino]-2-methylpropanoate
CID 43074427
2-chloro-4-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)benzamide
CID 113343249
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]acetate
CID 6469574
2-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzamide
CID 114008491
methyl (2S)-2-[(2-chloro-4-nitrobenzoyl)amino]-2-(2,5-difluorophenyl)propanoate
CID 95278682
methyl 2-[(4-chloro-2-nitrobenzoyl)amino]-2-methylpropanoate
CID 43074434
N-(1-amino-2,4-dimethylpentan-2-yl)-2-chloro-4-fluorobenzamide;hydrochloride
CID 119600052
methyl 4-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 6469488
methyl 2-chloro-5-[(2-chloro-4-fluorobenzoyl)amino]benzoate
CID 38236031
1-(2-chloro-4-fluorophenyl)-4-methoxy-4-methylpentan-1-one
CID 103024568
methyl 3-(2-chloro-4-fluoroanilino)-2,2-dimethylpropanoate
CID 79623625
methyl 3-(2-chloro-4-fluorophenoxy)-2,2-dimethylpropanoate
CID 79622181

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate (CID 30876006) is methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate?
The InChIKey is WKHQHZDQLGTFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO3/c1-12(2,11(17)18-3)15-10(16)8-5-4-7(14)6-9(8)13/h4-6H,1-3H3,(H,15,16).
What are the key properties of methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate?
methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate has a molecular weight of 273.69 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-chloro-4-fluorobenzoyl)amino]-2-methylpropanoate is sourced from PubChem (CID 30876006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).