5-(3-iodophenyl)-N-[(4-phenylphenyl)methyl]pentanamide

C24H24INO — CID 174907629

IUPAC5-(3-iodophenyl)-N-[(4-phenylphenyl)methyl]pentanamide
SMILESO=C(CCCCc1cccc(I)c1)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24INO/c25-23-11-6-8-19(17-23)7-4-5-12-24(27)26-18-20-13-15-22(16-14-20)21-9-2-1-3-10-21/h1-3,6,8-11,13-17H,4-5,7,12,18H2,(H,26,27)
InChIKeyHEIQOWTVVJLHQK-UHFFFAOYSA-N
MW469.37 g/mol
LogP5.99
Rot. Bonds8

About 5-(3-iodophenyl)-N-[(4-phenylphenyl)methyl]pentanamide

5-(3-iodophenyl)-N-[(4-phenylphenyl)methyl]pentanamide (PubChem CID 174907629) has the molecular formula C24H24INO and a molecular weight of 469.37 g/mol. Its IUPAC name is 5-(3-iodophenyl)-N-[(4-phenylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name5-(3-iodophenyl)-N-[(4-phenylphenyl)methyl]pentanamide
PubChem CID174907629
Molecular FormulaC24H24INO
Molecular Weight469.37 g/mol
Exact Mass469.09
IUPAC Name5-(3-iodophenyl)-N-[(4-phenylphenyl)methyl]pentanamide
SMILESO=C(CCCCc1cccc(I)c1)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24INO/c25-23-11-6-8-19(17-23)7-4-5-12-24(27)26-18-20-13-15-22(16-14-20)21-9-2-1-3-10-21/h1-3,6,8-11,13-17H,4-5,7,12,18H2,(H,26,27)
InChIKeyHEIQOWTVVJLHQK-UHFFFAOYSA-N
XLogP5.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.37
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-iodophenyl)-N-[(4-phenylphenyl)methyl]pentanamide?
The IUPAC name of 5-(3-iodophenyl)-N-[(4-phenylphenyl)methyl]pentanamide (CID 174907629) is 5-(3-iodophenyl)-N-[(4-phenylphenyl)methyl]pentanamide.
What is the SMILES notation for 5-(3-iodophenyl)-N-[(4-phenylphenyl)methyl]pentanamide?
The canonical SMILES for 5-(3-iodophenyl)-N-[(4-phenylphenyl)methyl]pentanamide is O=C(CCCCc1cccc(I)c1)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-(3-iodophenyl)-N-[(4-phenylphenyl)methyl]pentanamide?
The InChIKey is HEIQOWTVVJLHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24INO/c25-23-11-6-8-19(17-23)7-4-5-12-24(27)26-18-20-13-15-22(16-14-20)21-9-2-1-3-10-21/h1-3,6,8-11,13-17H,4-5,7,12,18H2,(H,26,27).
What are the key properties of 5-(3-iodophenyl)-N-[(4-phenylphenyl)methyl]pentanamide?
5-(3-iodophenyl)-N-[(4-phenylphenyl)methyl]pentanamide has a molecular weight of 469.37 g/mol, XLogP of 5.99, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-iodophenyl)-N-[(4-phenylphenyl)methyl]pentanamide is sourced from PubChem (CID 174907629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).