[2-[(2,4-difluorobenzoyl)amino]-2-methylpropyl] benzoate

C18H17F2NO3 — CID 15547623

IUPAC[2-[(2,4-difluorobenzoyl)amino]-2-methylpropyl] benzoate
SMILESCC(C)(COC(=O)c1ccccc1)NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H17F2NO3/c1-18(2,11-24-17(23)12-6-4-3-5-7-12)21-16(22)14-9-8-13(19)10-15(14)20/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyHRDHHSPUIKQQKU-UHFFFAOYSA-N
MW333.33 g/mol
LogP3.33
Rot. Bonds5

About [2-[(2,4-difluorobenzoyl)amino]-2-methylpropyl] benzoate

[2-[(2,4-difluorobenzoyl)amino]-2-methylpropyl] benzoate (PubChem CID 15547623) has the molecular formula C18H17F2NO3 and a molecular weight of 333.33 g/mol. Its IUPAC name is [2-[(2,4-difluorobenzoyl)amino]-2-methylpropyl] benzoate.

Molecular Properties

Compound Name[2-[(2,4-difluorobenzoyl)amino]-2-methylpropyl] benzoate
PubChem CID15547623
Molecular FormulaC18H17F2NO3
Molecular Weight333.33 g/mol
Exact Mass333.12
IUPAC Name[2-[(2,4-difluorobenzoyl)amino]-2-methylpropyl] benzoate
SMILESCC(C)(COC(=O)c1ccccc1)NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C18H17F2NO3/c1-18(2,11-24-17(23)12-6-4-3-5-7-12)21-16(22)14-9-8-13(19)10-15(14)20/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyHRDHHSPUIKQQKU-UHFFFAOYSA-N
XLogP3.33
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[(2,4-difluorobenzoyl)amino]-2-methylpropyl] benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-difluorobenzoyl)amino]-2-methylpropyl] benzoate?
The IUPAC name of [2-[(2,4-difluorobenzoyl)amino]-2-methylpropyl] benzoate (CID 15547623) is [2-[(2,4-difluorobenzoyl)amino]-2-methylpropyl] benzoate.
What is the SMILES notation for [2-[(2,4-difluorobenzoyl)amino]-2-methylpropyl] benzoate?
The canonical SMILES for [2-[(2,4-difluorobenzoyl)amino]-2-methylpropyl] benzoate is CC(C)(COC(=O)c1ccccc1)NC(=O)c1ccc(F)cc1F.
What is the InChIKey of [2-[(2,4-difluorobenzoyl)amino]-2-methylpropyl] benzoate?
The InChIKey is HRDHHSPUIKQQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3/c1-18(2,11-24-17(23)12-6-4-3-5-7-12)21-16(22)14-9-8-13(19)10-15(14)20/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of [2-[(2,4-difluorobenzoyl)amino]-2-methylpropyl] benzoate?
[2-[(2,4-difluorobenzoyl)amino]-2-methylpropyl] benzoate has a molecular weight of 333.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-difluorobenzoyl)amino]-2-methylpropyl] benzoate is sourced from PubChem (CID 15547623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).