1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide

C19H21FN2O2 — CID 109043672

IUPAC1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
SMILESCCCCNC(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O2/c1-2-3-12-21-18(23)14-8-10-15(11-9-14)19(24)22-13-16-6-4-5-7-17(16)20/h4-11H,2-3,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyPATYGDHZQGNIPW-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.29
Rot. Bonds7

About 1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide

1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide (PubChem CID 109043672) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
PubChem CID109043672
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC Name1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
SMILESCCCCNC(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O2/c1-2-3-12-21-18(23)14-8-10-15(11-9-14)19(24)22-13-16-6-4-5-7-17(16)20/h4-11H,2-3,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyPATYGDHZQGNIPW-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045263
N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide
CID 17068474
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171
4-N-butyl-2-N-[(2-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079208
2-(butylamino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109248264
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
N-butyl-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109165416
4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide
CID 111601526
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052680
N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62166042

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide (CID 109043672) is 1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide is CCCCNC(=O)c1ccc(C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of 1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
The InChIKey is PATYGDHZQGNIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-2-3-12-21-18(23)14-8-10-15(11-9-14)19(24)22-13-16-6-4-5-7-17(16)20/h4-11H,2-3,12-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide?
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 109043672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).