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

C24H23FN2O2 — CID 109047171

IUPAC4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C24H23FN2O2/c25-22-11-5-4-10-21(22)17-27-24(29)20-14-12-19(13-15-20)23(28)26-16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-15H,6,9,16-17H2,(H,26,28)(H,27,29)
InChIKeyKIBUKMOFUUDTQV-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.12
Rot. Bonds8

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

4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide (PubChem CID 109047171) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
PubChem CID109047171
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
SMILESO=C(NCCCc1ccccc1)c1ccc(C(=O)NCc2ccccc2F)cc1
InChIInChI=1S/C24H23FN2O2/c25-22-11-5-4-10-21(22)17-27-24(29)20-14-12-19(13-15-20)23(28)26-16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-15H,6,9,16-17H2,(H,26,28)(H,27,29)
InChIKeyKIBUKMOFUUDTQV-UHFFFAOYSA-N
XLogP4.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2-fluorophenyl)methyl]-N-(3-phenylpropyl)oxamide
CID 108984905
4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109046799
4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109086345
1-N-butyl-4-N-[(2-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109043672
4-N-[(2-fluorophenyl)methyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045263
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)cyclohexane-1,4-dicarboxamide
CID 109148357
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
4-(hydroxyamino)-N-(3-phenylpropyl)benzamide
CID 87991193
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109211160
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide
CID 111601526

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide (CID 109047171) is 4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide is O=C(NCCCc1ccccc1)c1ccc(C(=O)NCc2ccccc2F)cc1.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
The InChIKey is KIBUKMOFUUDTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c25-22-11-5-4-10-21(22)17-27-24(29)20-14-12-19(13-15-20)23(28)26-16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-15H,6,9,16-17H2,(H,26,28)(H,27,29).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide has a molecular weight of 390.46 g/mol, XLogP of 4.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).