N-[4-[3-fluoro-4-(3-pyridin-3-ylpropanoyl)phenyl]-3-methylphenyl]-N-methylpropanamide

C25H25FN2O2 — CID 167620757

IUPACN-[4-[3-fluoro-4-(3-pyridin-3-ylpropanoyl)phenyl]-3-methylphenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3)c(F)c2)c(C)c1
InChIInChI=1S/C25H25FN2O2/c1-4-25(30)28(3)20-9-11-21(17(2)14-20)19-8-10-22(23(26)15-19)24(29)12-7-18-6-5-13-27-16-18/h5-6,8-11,13-16H,4,7,12H2,1-3H3
InChIKeyMKDQBAXWZBMGMJ-UHFFFAOYSA-N
MW404.49 g/mol
LogP5.38
Rot. Bonds7

About N-[4-[3-fluoro-4-(3-pyridin-3-ylpropanoyl)phenyl]-3-methylphenyl]-N-methylpropanamide

N-[4-[3-fluoro-4-(3-pyridin-3-ylpropanoyl)phenyl]-3-methylphenyl]-N-methylpropanamide (PubChem CID 167620757) has the molecular formula C25H25FN2O2 and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[4-[3-fluoro-4-(3-pyridin-3-ylpropanoyl)phenyl]-3-methylphenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[3-fluoro-4-(3-pyridin-3-ylpropanoyl)phenyl]-3-methylphenyl]-N-methylpropanamide
PubChem CID167620757
Molecular FormulaC25H25FN2O2
Molecular Weight404.49 g/mol
Exact Mass404.19
IUPAC NameN-[4-[3-fluoro-4-(3-pyridin-3-ylpropanoyl)phenyl]-3-methylphenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3)c(F)c2)c(C)c1
InChIInChI=1S/C25H25FN2O2/c1-4-25(30)28(3)20-9-11-21(17(2)14-20)19-8-10-22(23(26)15-19)24(29)12-7-18-6-5-13-27-16-18/h5-6,8-11,13-16H,4,7,12H2,1-3H3
InChIKeyMKDQBAXWZBMGMJ-UHFFFAOYSA-N
XLogP5.38
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide
CID 167542434
N-[2-hydroxy-4-[4-(3-pyridin-3-ylpropanoyl)phenyl]phenyl]-N-methylpropanamide
CID 167635364
N-[2-fluoro-4-[3-hydroxy-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167660370
N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide
CID 167571065
6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 153360908
N-methyl-N-[3-methyl-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]propanamide
CID 167659057
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide
CID 167595216
1-(2-fluoro-4-methylphenyl)-2-pyridin-3-ylethanone
CID 115799155
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167711956
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]-3-chlorophenyl]phenyl]-N-methylpropanamide
CID 167616132
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-dimethyl-3-pyridinyl)propanoyl]phenyl]-3-fluorophenyl]-N-methylpropanamide
CID 167703750

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-fluoro-4-(3-pyridin-3-ylpropanoyl)phenyl]-3-methylphenyl]-N-methylpropanamide?
The IUPAC name of N-[4-[3-fluoro-4-(3-pyridin-3-ylpropanoyl)phenyl]-3-methylphenyl]-N-methylpropanamide (CID 167620757) is N-[4-[3-fluoro-4-(3-pyridin-3-ylpropanoyl)phenyl]-3-methylphenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[3-fluoro-4-(3-pyridin-3-ylpropanoyl)phenyl]-3-methylphenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-[3-fluoro-4-(3-pyridin-3-ylpropanoyl)phenyl]-3-methylphenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3)c(F)c2)c(C)c1.
What is the InChIKey of N-[4-[3-fluoro-4-(3-pyridin-3-ylpropanoyl)phenyl]-3-methylphenyl]-N-methylpropanamide?
The InChIKey is MKDQBAXWZBMGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O2/c1-4-25(30)28(3)20-9-11-21(17(2)14-20)19-8-10-22(23(26)15-19)24(29)12-7-18-6-5-13-27-16-18/h5-6,8-11,13-16H,4,7,12H2,1-3H3.
What are the key properties of N-[4-[3-fluoro-4-(3-pyridin-3-ylpropanoyl)phenyl]-3-methylphenyl]-N-methylpropanamide?
N-[4-[3-fluoro-4-(3-pyridin-3-ylpropanoyl)phenyl]-3-methylphenyl]-N-methylpropanamide has a molecular weight of 404.49 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-fluoro-4-(3-pyridin-3-ylpropanoyl)phenyl]-3-methylphenyl]-N-methylpropanamide is sourced from PubChem (CID 167620757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).