2-fluoro-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide

C19H20FN3O4 — CID 2444326

IUPAC2-fluoro-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CNC(=O)c2ccccc2F)c1
InChIInChI=1S/C19H20FN3O4/c1-23(12-17(24)22-13-6-5-7-14(10-13)27-2)18(25)11-21-19(26)15-8-3-4-9-16(15)20/h3-10H,11-12H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyABTZLJRGRDCMPQ-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.66
Rot. Bonds7

About 2-fluoro-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide

2-fluoro-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide (PubChem CID 2444326) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is 2-fluoro-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
PubChem CID2444326
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name2-fluoro-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CNC(=O)c2ccccc2F)c1
InChIInChI=1S/C19H20FN3O4/c1-23(12-17(24)22-13-6-5-7-14(10-13)27-2)18(25)11-21-19(26)15-8-3-4-9-16(15)20/h3-10H,11-12H2,1-2H3,(H,21,26)(H,22,24)
InChIKeyABTZLJRGRDCMPQ-UHFFFAOYSA-N
XLogP1.66
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]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 2-fluoro-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide (CID 2444326) is 2-fluoro-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide is COc1cccc(NC(=O)CN(C)C(=O)CNC(=O)c2ccccc2F)c1.
What is the InChIKey of 2-fluoro-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide?
The InChIKey is ABTZLJRGRDCMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-23(12-17(24)22-13-6-5-7-14(10-13)27-2)18(25)11-21-19(26)15-8-3-4-9-16(15)20/h3-10H,11-12H2,1-2H3,(H,21,26)(H,22,24).
What are the key properties of 2-fluoro-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide?
2-fluoro-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide has a molecular weight of 373.38 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 2444326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).