4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide

C19H21FN2O2 — CID 977462

IUPAC4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O2/c1-2-3-18(23)22-17-10-6-15(7-11-17)19(24)21-13-12-14-4-8-16(20)9-5-14/h4-11H,2-3,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyOLMZSQVZLWANAO-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.54
Rot. Bonds7

About 4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide

4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide (PubChem CID 977462) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
PubChem CID977462
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O2/c1-2-3-18(23)22-17-10-6-15(7-11-17)19(24)21-13-12-14-4-8-16(20)9-5-14/h4-11H,2-3,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyOLMZSQVZLWANAO-UHFFFAOYSA-N
XLogP3.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide 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 4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide (CID 977462) is 4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide is CCCC(=O)Nc1ccc(C(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is OLMZSQVZLWANAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-2-3-18(23)22-17-10-6-15(7-11-17)19(24)21-13-12-14-4-8-16(20)9-5-14/h4-11H,2-3,12-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide?
4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 328.39 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 977462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).