3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one

C24H24ClFN2O — CID 167616697

IUPAC3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
SMILESCCCN(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3Cl)cc2)cc1F
InChIInChI=1S/C24H24ClFN2O/c1-3-15-28(2)22-12-10-20(16-21(22)26)17-6-8-18(9-7-17)23(29)13-11-19-5-4-14-27-24(19)25/h4-10,12,14,16H,3,11,13,15H2,1-2H3
InChIKeyCXHLEONQYGJILR-UHFFFAOYSA-N
MW410.92 g/mol
LogP6.20
Rot. Bonds8

About 3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one

3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one (PubChem CID 167616697) has the molecular formula C24H24ClFN2O and a molecular weight of 410.92 g/mol. Its IUPAC name is 3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one.

Molecular Properties

Compound Name3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
PubChem CID167616697
Molecular FormulaC24H24ClFN2O
Molecular Weight410.92 g/mol
Exact Mass410.16
IUPAC Name3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
SMILESCCCN(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3Cl)cc2)cc1F
InChIInChI=1S/C24H24ClFN2O/c1-3-15-28(2)22-12-10-20(16-21(22)26)17-6-8-18(9-7-17)23(29)13-11-19-5-4-14-27-24(19)25/h4-10,12,14,16H,3,11,13,15H2,1-2H3
InChIKeyCXHLEONQYGJILR-UHFFFAOYSA-N
XLogP6.20
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.92
LogP ≤ 56.20
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

3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
CID 167657886
N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide
CID 167556265
N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167556264
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
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide
CID 167631163
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-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide
CID 167554100
N-cyclobutyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide
CID 167703477
N-[4-[5-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167662284
3-(2-chlorophenyl)-1-(4-chlorophenyl)propan-1-one
CID 86152302
N-[3-chloro-4-[6-[3-(2-chloro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167574705
1-[4-[4-(3-fluoro-4-pentylphenyl)phenyl]phenyl]pentan-1-one
CID 142331681

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one?
The IUPAC name of 3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one (CID 167616697) is 3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one.
What is the SMILES notation for 3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one?
The canonical SMILES for 3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one is CCCN(C)c1ccc(-c2ccc(C(=O)CCc3cccnc3Cl)cc2)cc1F.
What is the InChIKey of 3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one?
The InChIKey is CXHLEONQYGJILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN2O/c1-3-15-28(2)22-12-10-20(16-21(22)26)17-6-8-18(9-7-17)23(29)13-11-19-5-4-14-27-24(19)25/h4-10,12,14,16H,3,11,13,15H2,1-2H3.
What are the key properties of 3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one?
3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one has a molecular weight of 410.92 g/mol, XLogP of 6.20, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-pyridinyl)-1-[4-[3-fluoro-4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one is sourced from PubChem (CID 167616697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).