3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide

C19H21FN2O3 — CID 109052680

IUPAC3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
SMILESCOCCCNC(=O)c1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C19H21FN2O3/c1-25-11-5-10-21-18(23)14-7-4-8-15(12-14)19(24)22-13-16-6-2-3-9-17(16)20/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyFIYYBCMNGSIPGO-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.52
Rot. Bonds8

About 3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide

3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide (PubChem CID 109052680) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
PubChem CID109052680
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
SMILESCOCCCNC(=O)c1cccc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C19H21FN2O3/c1-25-11-5-10-21-18(23)14-7-4-8-15(12-14)19(24)22-13-16-6-2-3-9-17(16)20/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,23)(H,22,24)
InChIKeyFIYYBCMNGSIPGO-UHFFFAOYSA-N
XLogP2.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045263
1-N-butyl-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109051080
3-N-(2-methoxyethyl)-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052487
2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166991
1-N-(2-methoxyethyl)-3-N-[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052499
5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228022
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
1-N-(3-methoxypropyl)-3-N-[(3-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052676
3-N-(2-ethylphenyl)-1-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054619
3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 109015344
1-N-[(4-chlorophenyl)methyl]-3-N-[(2-fluorophenyl)methyl]benzene-1,3-dicarboxamide
CID 109054581
3-fluoro-N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 27514924

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide (CID 109052680) is 3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide is COCCCNC(=O)c1cccc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide?
The InChIKey is FIYYBCMNGSIPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-25-11-5-10-21-18(23)14-7-4-8-15(12-14)19(24)22-13-16-6-2-3-9-17(16)20/h2-4,6-9,12H,5,10-11,13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide?
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109052680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).