N-(2-acetamidoethyl)-3-(5-fluoro-2-methoxyphenyl)benzamide

C18H19FN2O3 — CID 134799203

IUPACN-(2-acetamidoethyl)-3-(5-fluoro-2-methoxyphenyl)benzamide
SMILESCOc1ccc(F)cc1-c1cccc(C(=O)NCCNC(C)=O)c1
InChIInChI=1S/C18H19FN2O3/c1-12(22)20-8-9-21-18(23)14-5-3-4-13(10-14)16-11-15(19)6-7-17(16)24-2/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQBDHPPIEPUPFDL-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.37
Rot. Bonds6

About N-(2-acetamidoethyl)-3-(5-fluoro-2-methoxyphenyl)benzamide

N-(2-acetamidoethyl)-3-(5-fluoro-2-methoxyphenyl)benzamide (PubChem CID 134799203) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(5-fluoro-2-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(5-fluoro-2-methoxyphenyl)benzamide
PubChem CID134799203
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC NameN-(2-acetamidoethyl)-3-(5-fluoro-2-methoxyphenyl)benzamide
SMILESCOc1ccc(F)cc1-c1cccc(C(=O)NCCNC(C)=O)c1
InChIInChI=1S/C18H19FN2O3/c1-12(22)20-8-9-21-18(23)14-5-3-4-13(10-14)16-11-15(19)6-7-17(16)24-2/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQBDHPPIEPUPFDL-UHFFFAOYSA-N
XLogP2.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-acetamidoethyl)-3-(5-fluoro-2-methoxyphenyl)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 N-(2-acetamidoethyl)-3-(5-fluoro-2-methoxyphenyl)benzamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(5-fluoro-2-methoxyphenyl)benzamide (CID 134799203) is N-(2-acetamidoethyl)-3-(5-fluoro-2-methoxyphenyl)benzamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(5-fluoro-2-methoxyphenyl)benzamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(5-fluoro-2-methoxyphenyl)benzamide is COc1ccc(F)cc1-c1cccc(C(=O)NCCNC(C)=O)c1.
What is the InChIKey of N-(2-acetamidoethyl)-3-(5-fluoro-2-methoxyphenyl)benzamide?
The InChIKey is QBDHPPIEPUPFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-12(22)20-8-9-21-18(23)14-5-3-4-13(10-14)16-11-15(19)6-7-17(16)24-2/h3-7,10-11H,8-9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-acetamidoethyl)-3-(5-fluoro-2-methoxyphenyl)benzamide?
N-(2-acetamidoethyl)-3-(5-fluoro-2-methoxyphenyl)benzamide has a molecular weight of 330.36 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(5-fluoro-2-methoxyphenyl)benzamide is sourced from PubChem (CID 134799203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).