4-(2,2-dimethylpropanoyl)-N-(4-fluorobenzoyl)benzamide

C19H18FNO3 — CID 10687638

IUPAC4-(2,2-dimethylpropanoyl)-N-(4-fluorobenzoyl)benzamide
SMILESCC(C)(C)C(=O)c1ccc(C(=O)NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FNO3/c1-19(2,3)16(22)12-4-6-13(7-5-12)17(23)21-18(24)14-8-10-15(20)11-9-14/h4-11H,1-3H3,(H,21,23,24)
InChIKeyZWTZWSFVKIYWPU-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.62
Rot. Bonds3

About 4-(2,2-dimethylpropanoyl)-N-(4-fluorobenzoyl)benzamide

4-(2,2-dimethylpropanoyl)-N-(4-fluorobenzoyl)benzamide (PubChem CID 10687638) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-N-(4-fluorobenzoyl)benzamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-N-(4-fluorobenzoyl)benzamide
PubChem CID10687638
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name4-(2,2-dimethylpropanoyl)-N-(4-fluorobenzoyl)benzamide
SMILESCC(C)(C)C(=O)c1ccc(C(=O)NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FNO3/c1-19(2,3)16(22)12-4-6-13(7-5-12)17(23)21-18(24)14-8-10-15(20)11-9-14/h4-11H,1-3H3,(H,21,23,24)
InChIKeyZWTZWSFVKIYWPU-UHFFFAOYSA-N
XLogP3.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoyl)-N-(4-fluorobenzoyl)benzamide?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-N-(4-fluorobenzoyl)benzamide (CID 10687638) is 4-(2,2-dimethylpropanoyl)-N-(4-fluorobenzoyl)benzamide.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-N-(4-fluorobenzoyl)benzamide?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-N-(4-fluorobenzoyl)benzamide is CC(C)(C)C(=O)c1ccc(C(=O)NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-N-(4-fluorobenzoyl)benzamide?
The InChIKey is ZWTZWSFVKIYWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c1-19(2,3)16(22)12-4-6-13(7-5-12)17(23)21-18(24)14-8-10-15(20)11-9-14/h4-11H,1-3H3,(H,21,23,24).
What are the key properties of 4-(2,2-dimethylpropanoyl)-N-(4-fluorobenzoyl)benzamide?
4-(2,2-dimethylpropanoyl)-N-(4-fluorobenzoyl)benzamide has a molecular weight of 327.36 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-N-(4-fluorobenzoyl)benzamide is sourced from PubChem (CID 10687638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).