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

C12H13ClFNO3 — CID 30875671

IUPACmethyl 2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H13ClFNO3/c1-12(2,11(17)18-3)15-10(16)8-5-4-7(13)6-9(8)14/h4-6H,1-3H3,(H,15,16)
InChIKeyDWKXWFMPLSWCTP-UHFFFAOYSA-N
MW273.69 g/mol
LogP2.16
Rot. Bonds3

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

methyl 2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpropanoate (PubChem CID 30875671) has the molecular formula C12H13ClFNO3 and a molecular weight of 273.69 g/mol. Its IUPAC name is methyl 2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpropanoate
PubChem CID30875671
Molecular FormulaC12H13ClFNO3
Molecular Weight273.69 g/mol
Exact Mass273.06
IUPAC Namemethyl 2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C12H13ClFNO3/c1-12(2,11(17)18-3)15-10(16)8-5-4-7(13)6-9(8)14/h4-6H,1-3H3,(H,15,16)
InChIKeyDWKXWFMPLSWCTP-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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpropanoate (CID 30875671) is methyl 2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)c1ccc(Cl)cc1F.
What is the InChIKey of methyl 2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpropanoate?
The InChIKey is DWKXWFMPLSWCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO3/c1-12(2,11(17)18-3)15-10(16)8-5-4-7(13)6-9(8)14/h4-6H,1-3H3,(H,15,16).
What are the key properties of methyl 2-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpropanoate?
methyl 2-[(4-chloro-2-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-[(4-chloro-2-fluorobenzoyl)amino]-2-methylpropanoate is sourced from PubChem (CID 30875671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).