N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide

C24H21ClF2N2O2 — CID 167556265

IUPACN-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3Cl)cc2)c(F)c1F
InChIInChI=1S/C24H21ClF2N2O2/c1-3-21(31)29(2)19-12-11-18(22(26)23(19)27)15-6-8-16(9-7-15)20(30)13-10-17-5-4-14-28-24(17)25/h4-9,11-12,14H,3,10,13H2,1-2H3
InChIKeyIMEXOIYMUROQMV-UHFFFAOYSA-N
MW442.89 g/mol
LogP5.87
Rot. Bonds7

About N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide

N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide (PubChem CID 167556265) has the molecular formula C24H21ClF2N2O2 and a molecular weight of 442.89 g/mol. Its IUPAC name is N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide
PubChem CID167556265
Molecular FormulaC24H21ClF2N2O2
Molecular Weight442.89 g/mol
Exact Mass442.13
IUPAC NameN-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3Cl)cc2)c(F)c1F
InChIInChI=1S/C24H21ClF2N2O2/c1-3-21(31)29(2)19-12-11-18(22(26)23(19)27)15-6-8-16(9-7-15)20(30)13-10-17-5-4-14-28-24(17)25/h4-9,11-12,14H,3,10,13H2,1-2H3
InChIKeyIMEXOIYMUROQMV-UHFFFAOYSA-N
XLogP5.87
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.89
LogP ≤ 55.87
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-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167556264
N-[2,3-difluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167701771
3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
CID 167616697
N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-2-chlorophenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-chloro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-chloro-4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167688608
3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
CID 167657886
N-[3-chloro-4-[6-[3-(2-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167574705
N-[4-[2-hydroxy-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167711632
N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]-2-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]-2-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[2-methyl-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167663575
N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[4-[6-[3-(6-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]-2-fluoro-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[2-fluoro-3-methyl-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167586057
N-[4-[6-[3-(2-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-chlorophenyl]-N-methylpropanamide
CID 167574706
N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-3-fluorophenyl]-N-methylpropanamide
CID 167703750
N-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide
CID 167607738

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide?
The IUPAC name of N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide (CID 167556265) is N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3Cl)cc2)c(F)c1F.
What is the InChIKey of N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide?
The InChIKey is IMEXOIYMUROQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF2N2O2/c1-3-21(31)29(2)19-12-11-18(22(26)23(19)27)15-6-8-16(9-7-15)20(30)13-10-17-5-4-14-28-24(17)25/h4-9,11-12,14H,3,10,13H2,1-2H3.
What are the key properties of N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide?
N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide has a molecular weight of 442.89 g/mol, XLogP of 5.87, 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-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide is sourced from PubChem (CID 167556265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).