1-(3,5-difluorophenyl)-N,N-diethylnaphthalene-2-carboxamide

C21H19F2NO — CID 71059225

IUPAC1-(3,5-difluorophenyl)-N,N-diethylnaphthalene-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc2ccccc2c1-c1cc(F)cc(F)c1
InChIInChI=1S/C21H19F2NO/c1-3-24(4-2)21(25)19-10-9-14-7-5-6-8-18(14)20(19)15-11-16(22)13-17(23)12-15/h5-13H,3-4H2,1-2H3
InChIKeyXGUQIXJPZVPAEM-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.27
Rot. Bonds4

About 1-(3,5-difluorophenyl)-N,N-diethylnaphthalene-2-carboxamide

1-(3,5-difluorophenyl)-N,N-diethylnaphthalene-2-carboxamide (PubChem CID 71059225) has the molecular formula C21H19F2NO and a molecular weight of 339.39 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N,N-diethylnaphthalene-2-carboxamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N,N-diethylnaphthalene-2-carboxamide
PubChem CID71059225
Molecular FormulaC21H19F2NO
Molecular Weight339.39 g/mol
Exact Mass339.14
IUPAC Name1-(3,5-difluorophenyl)-N,N-diethylnaphthalene-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc2ccccc2c1-c1cc(F)cc(F)c1
InChIInChI=1S/C21H19F2NO/c1-3-24(4-2)21(25)19-10-9-14-7-5-6-8-18(14)20(19)15-11-16(22)13-17(23)12-15/h5-13H,3-4H2,1-2H3
InChIKeyXGUQIXJPZVPAEM-UHFFFAOYSA-N
XLogP5.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3,5-difluorophenyl)-N,N-diethylnaphthalene-2-carboxamide 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 1-(3,5-difluorophenyl)-N,N-diethylnaphthalene-2-carboxamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N,N-diethylnaphthalene-2-carboxamide (CID 71059225) is 1-(3,5-difluorophenyl)-N,N-diethylnaphthalene-2-carboxamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N,N-diethylnaphthalene-2-carboxamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N,N-diethylnaphthalene-2-carboxamide is CCN(CC)C(=O)c1ccc2ccccc2c1-c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N,N-diethylnaphthalene-2-carboxamide?
The InChIKey is XGUQIXJPZVPAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO/c1-3-24(4-2)21(25)19-10-9-14-7-5-6-8-18(14)20(19)15-11-16(22)13-17(23)12-15/h5-13H,3-4H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-N,N-diethylnaphthalene-2-carboxamide?
1-(3,5-difluorophenyl)-N,N-diethylnaphthalene-2-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N,N-diethylnaphthalene-2-carboxamide is sourced from PubChem (CID 71059225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).