4-phenyl-N-(4-pyridin-3-ylbutyl)benzamide

C22H22N2O — CID 14570074

IUPAC4-phenyl-N-(4-pyridin-3-ylbutyl)benzamide
SMILESO=C(NCCCCc1cccnc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H22N2O/c25-22(24-16-5-4-7-18-8-6-15-23-17-18)21-13-11-20(12-14-21)19-9-2-1-3-10-19/h1-3,6,8-15,17H,4-5,7,16H2,(H,24,25)
InChIKeyUCTLFZQFQXOBGP-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.50
Rot. Bonds7

About 4-phenyl-N-(4-pyridin-3-ylbutyl)benzamide

4-phenyl-N-(4-pyridin-3-ylbutyl)benzamide (PubChem CID 14570074) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-phenyl-N-(4-pyridin-3-ylbutyl)benzamide.

Molecular Properties

Compound Name4-phenyl-N-(4-pyridin-3-ylbutyl)benzamide
PubChem CID14570074
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name4-phenyl-N-(4-pyridin-3-ylbutyl)benzamide
SMILESO=C(NCCCCc1cccnc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H22N2O/c25-22(24-16-5-4-7-18-8-6-15-23-17-18)21-13-11-20(12-14-21)19-9-2-1-3-10-19/h1-3,6,8-15,17H,4-5,7,16H2,(H,24,25)
InChIKeyUCTLFZQFQXOBGP-UHFFFAOYSA-N
XLogP4.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-pyridin-3-ylbutyl)benzamide?
The IUPAC name of 4-phenyl-N-(4-pyridin-3-ylbutyl)benzamide (CID 14570074) is 4-phenyl-N-(4-pyridin-3-ylbutyl)benzamide.
What is the SMILES notation for 4-phenyl-N-(4-pyridin-3-ylbutyl)benzamide?
The canonical SMILES for 4-phenyl-N-(4-pyridin-3-ylbutyl)benzamide is O=C(NCCCCc1cccnc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-pyridin-3-ylbutyl)benzamide?
The InChIKey is UCTLFZQFQXOBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c25-22(24-16-5-4-7-18-8-6-15-23-17-18)21-13-11-20(12-14-21)19-9-2-1-3-10-19/h1-3,6,8-15,17H,4-5,7,16H2,(H,24,25).
What are the key properties of 4-phenyl-N-(4-pyridin-3-ylbutyl)benzamide?
4-phenyl-N-(4-pyridin-3-ylbutyl)benzamide has a molecular weight of 330.43 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-pyridin-3-ylbutyl)benzamide is sourced from PubChem (CID 14570074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).