5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-4-methylpentanamide

C23H27ClFNO2 — CID 122500998

IUPAC5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-4-methylpentanamide
SMILESCC(CCC(=O)NC(=O)C(C)(C)C)Cc1ccc(-c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C23H27ClFNO2/c1-15(5-12-21(27)26-22(28)23(2,3)4)13-16-6-8-17(9-7-16)19-14-18(24)10-11-20(19)25/h6-11,14-15H,5,12-13H2,1-4H3,(H,26,27,28)
InChIKeyFRFINGRLHYWVIX-UHFFFAOYSA-N
MW403.93 g/mol
LogP5.79
Rot. Bonds6

About 5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-4-methylpentanamide

5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-4-methylpentanamide (PubChem CID 122500998) has the molecular formula C23H27ClFNO2 and a molecular weight of 403.93 g/mol. Its IUPAC name is 5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-4-methylpentanamide.

Molecular Properties

Compound Name5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-4-methylpentanamide
PubChem CID122500998
Molecular FormulaC23H27ClFNO2
Molecular Weight403.93 g/mol
Exact Mass403.17
IUPAC Name5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-4-methylpentanamide
SMILESCC(CCC(=O)NC(=O)C(C)(C)C)Cc1ccc(-c2cc(Cl)ccc2F)cc1
InChIInChI=1S/C23H27ClFNO2/c1-15(5-12-21(27)26-22(28)23(2,3)4)13-16-6-8-17(9-7-16)19-14-18(24)10-11-20(19)25/h6-11,14-15H,5,12-13H2,1-4H3,(H,26,27,28)
InChIKeyFRFINGRLHYWVIX-UHFFFAOYSA-N
XLogP5.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.93
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-4-methylpentanamide?
The IUPAC name of 5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-4-methylpentanamide (CID 122500998) is 5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-4-methylpentanamide.
What is the SMILES notation for 5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-4-methylpentanamide?
The canonical SMILES for 5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-4-methylpentanamide is CC(CCC(=O)NC(=O)C(C)(C)C)Cc1ccc(-c2cc(Cl)ccc2F)cc1.
What is the InChIKey of 5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-4-methylpentanamide?
The InChIKey is FRFINGRLHYWVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClFNO2/c1-15(5-12-21(27)26-22(28)23(2,3)4)13-16-6-8-17(9-7-16)19-14-18(24)10-11-20(19)25/h6-11,14-15H,5,12-13H2,1-4H3,(H,26,27,28).
What are the key properties of 5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-4-methylpentanamide?
5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-4-methylpentanamide has a molecular weight of 403.93 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-chloro-2-fluorophenyl)phenyl]-N-(2,2-dimethylpropanoyl)-4-methylpentanamide is sourced from PubChem (CID 122500998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).