N-butanoyl-6,6-bis(4-fluorophenyl)-N-propylhexanamide

C25H31F2NO2 — CID 142948838

IUPACN-butanoyl-6,6-bis(4-fluorophenyl)-N-propylhexanamide
SMILESCCCC(=O)N(CCC)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C25H31F2NO2/c1-3-7-24(29)28(18-4-2)25(30)9-6-5-8-23(19-10-14-21(26)15-11-19)20-12-16-22(27)17-13-20/h10-17,23H,3-9,18H2,1-2H3
InChIKeyQMLJOUATKSNXCY-UHFFFAOYSA-N
MW415.52 g/mol
LogP6.22
Rot. Bonds11

About N-butanoyl-6,6-bis(4-fluorophenyl)-N-propylhexanamide

N-butanoyl-6,6-bis(4-fluorophenyl)-N-propylhexanamide (PubChem CID 142948838) has the molecular formula C25H31F2NO2 and a molecular weight of 415.52 g/mol. Its IUPAC name is N-butanoyl-6,6-bis(4-fluorophenyl)-N-propylhexanamide.

Molecular Properties

Compound NameN-butanoyl-6,6-bis(4-fluorophenyl)-N-propylhexanamide
PubChem CID142948838
Molecular FormulaC25H31F2NO2
Molecular Weight415.52 g/mol
Exact Mass415.23
IUPAC NameN-butanoyl-6,6-bis(4-fluorophenyl)-N-propylhexanamide
SMILESCCCC(=O)N(CCC)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C25H31F2NO2/c1-3-7-24(29)28(18-4-2)25(30)9-6-5-8-23(19-10-14-21(26)15-11-19)20-12-16-22(27)17-13-20/h10-17,23H,3-9,18H2,1-2H3
InChIKeyQMLJOUATKSNXCY-UHFFFAOYSA-N
XLogP6.22
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butanoyl-6,6-bis(4-fluorophenyl)-N-propylhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butanoyl-6,6-bis(4-fluorophenyl)-N-propylhexanamide?
The IUPAC name of N-butanoyl-6,6-bis(4-fluorophenyl)-N-propylhexanamide (CID 142948838) is N-butanoyl-6,6-bis(4-fluorophenyl)-N-propylhexanamide.
What is the SMILES notation for N-butanoyl-6,6-bis(4-fluorophenyl)-N-propylhexanamide?
The canonical SMILES for N-butanoyl-6,6-bis(4-fluorophenyl)-N-propylhexanamide is CCCC(=O)N(CCC)C(=O)CCCCC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of N-butanoyl-6,6-bis(4-fluorophenyl)-N-propylhexanamide?
The InChIKey is QMLJOUATKSNXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2NO2/c1-3-7-24(29)28(18-4-2)25(30)9-6-5-8-23(19-10-14-21(26)15-11-19)20-12-16-22(27)17-13-20/h10-17,23H,3-9,18H2,1-2H3.
What are the key properties of N-butanoyl-6,6-bis(4-fluorophenyl)-N-propylhexanamide?
N-butanoyl-6,6-bis(4-fluorophenyl)-N-propylhexanamide has a molecular weight of 415.52 g/mol, XLogP of 6.22, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butanoyl-6,6-bis(4-fluorophenyl)-N-propylhexanamide is sourced from PubChem (CID 142948838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).