N-(4-fluorophenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide

C23H29FN2O2 — CID 127037571

IUPACN-(4-fluorophenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCCCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H29FN2O2/c1-16(2)15-18-6-8-19(9-7-18)17(3)23(28)25-14-4-5-22(27)26-21-12-10-20(24)11-13-21/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyYKWTZACUJOGWRS-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.66
Rot. Bonds9

About N-(4-fluorophenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide

N-(4-fluorophenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide (PubChem CID 127037571) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide
PubChem CID127037571
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC NameN-(4-fluorophenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide
SMILESCC(C)Cc1ccc(C(C)C(=O)NCCCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C23H29FN2O2/c1-16(2)15-18-6-8-19(9-7-18)17(3)23(28)25-14-4-5-22(27)26-21-12-10-20(24)11-13-21/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyYKWTZACUJOGWRS-UHFFFAOYSA-N
XLogP4.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.66
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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide?
The IUPAC name of N-(4-fluorophenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide (CID 127037571) is N-(4-fluorophenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide is CC(C)Cc1ccc(C(C)C(=O)NCCCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide?
The InChIKey is YKWTZACUJOGWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-16(2)15-18-6-8-19(9-7-18)17(3)23(28)25-14-4-5-22(27)26-21-12-10-20(24)11-13-21/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of N-(4-fluorophenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide?
N-(4-fluorophenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide has a molecular weight of 384.50 g/mol, XLogP of 4.66, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]butanamide is sourced from PubChem (CID 127037571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).