N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide

C25H24F2N2O2 — CID 167595216

IUPACN-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)cc2C)cc1
InChIInChI=1S/C25H24F2N2O2/c1-4-24(31)29(3)20-10-5-17(6-11-20)21-12-7-19(15-16(21)2)22(30)13-8-18-9-14-23(26)28-25(18)27/h5-7,9-12,14-15H,4,8,13H2,1-3H3
InChIKeyMNRHZYOVHHMAER-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.52
Rot. Bonds7

About N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide

N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide (PubChem CID 167595216) has the molecular formula C25H24F2N2O2 and a molecular weight of 422.48 g/mol. Its IUPAC name is N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide
PubChem CID167595216
Molecular FormulaC25H24F2N2O2
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC NameN-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)cc2C)cc1
InChIInChI=1S/C25H24F2N2O2/c1-4-24(31)29(3)20-10-5-17(6-11-20)21-12-7-19(15-16(21)2)22(30)13-8-18-9-14-23(26)28-25(18)27/h5-7,9-12,14-15H,4,8,13H2,1-3H3
InChIKeyMNRHZYOVHHMAER-UHFFFAOYSA-N
XLogP5.52
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.52
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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Related Compounds

N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-3-fluorophenyl]-N-methylpropanamide
CID 167703750
N-[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167602133
N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide
CID 167543424
N-[3-chloro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167531654
N-[4-[2-hydroxy-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167711632
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[3-fluoro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167656944
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167657462
N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167556264
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide
CID 167554100
N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide
CID 167646445
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide
CID 167667597
N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide
CID 167590752

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide (CID 167595216) is N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)cc2C)cc1.
What is the InChIKey of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide?
The InChIKey is MNRHZYOVHHMAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O2/c1-4-24(31)29(3)20-10-5-17(6-11-20)21-12-7-19(15-16(21)2)22(30)13-8-18-9-14-23(26)28-25(18)27/h5-7,9-12,14-15H,4,8,13H2,1-3H3.
What are the key properties of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide?
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide has a molecular weight of 422.48 g/mol, XLogP of 5.52, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167595216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).