4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide

C19H21FN2O3 — CID 109045263

IUPAC4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
SMILESCOCCCNC(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O3/c1-25-12-4-11-21-18(23)14-7-9-15(10-8-14)19(24)22-13-16-5-2-3-6-17(16)20/h2-3,5-10H,4,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyXKGXYFPYHBAKRB-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.52
Rot. Bonds8

About 4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide

4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide (PubChem CID 109045263) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
PubChem CID109045263
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
SMILESCOCCCNC(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O3/c1-25-12-4-11-21-18(23)14-7-9-15(10-8-14)19(24)22-13-16-5-2-3-6-17(16)20/h2-3,5-10H,4,11-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyXKGXYFPYHBAKRB-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

3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,3-dicarboxamide
CID 109052680
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171
3-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)propanamide
CID 109015344
N-[(2-fluorophenyl)methyl]-4-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
CID 119718423
N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide
CID 17068474
5-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109228022
2-[(2-fluorophenyl)methylamino]-N-(3-methoxypropyl)pyridine-4-carboxamide
CID 109166991
methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate
CID 47064166
4-N-tert-butyl-1-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 48847731
3-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109069113

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide (CID 109045263) is 4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide is COCCCNC(=O)c1ccc(C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
The InChIKey is XKGXYFPYHBAKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-25-12-4-11-21-18(23)14-7-9-15(10-8-14)19(24)22-13-16-5-2-3-6-17(16)20/h2-3,5-10H,4,11-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide?
4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-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 4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109045263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).