N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide

C24H21F3N2O2 — CID 167556264

IUPACN-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)cc2)c(F)c1F
InChIInChI=1S/C24H21F3N2O2/c1-3-21(31)29(2)19-12-11-18(22(25)23(19)26)15-6-8-16(9-7-15)20(30)13-10-17-5-4-14-28-24(17)27/h4-9,11-12,14H,3,10,13H2,1-2H3
InChIKeyOKKHZDFZVWGBIJ-UHFFFAOYSA-N
MW426.44 g/mol
LogP5.35
Rot. Bonds7

About N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide

N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide (PubChem CID 167556264) has the molecular formula C24H21F3N2O2 and a molecular weight of 426.44 g/mol. Its IUPAC name is N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
PubChem CID167556264
Molecular FormulaC24H21F3N2O2
Molecular Weight426.44 g/mol
Exact Mass426.16
IUPAC NameN-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)cc2)c(F)c1F
InChIInChI=1S/C24H21F3N2O2/c1-3-21(31)29(2)19-12-11-18(22(25)23(19)26)15-6-8-16(9-7-15)20(30)13-10-17-5-4-14-28-24(17)27/h4-9,11-12,14H,3,10,13H2,1-2H3
InChIKeyOKKHZDFZVWGBIJ-UHFFFAOYSA-N
XLogP5.35
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide (CID 167556264) is N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)cc2)c(F)c1F.
What is the InChIKey of N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide?
The InChIKey is OKKHZDFZVWGBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O2/c1-3-21(31)29(2)19-12-11-18(22(25)23(19)26)15-6-8-16(9-7-15)20(30)13-10-17-5-4-14-28-24(17)27/h4-9,11-12,14H,3,10,13H2,1-2H3.
What are the key properties of N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide?
N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide has a molecular weight of 426.44 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167556264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).