N-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide

C25H23ClF2N2O2 — CID 167558203

IUPACN-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)c(Cl)c2)cc1F
InChIInChI=1S/C25H23ClF2N2O2/c1-4-25(32)30(3)22-10-6-18(14-21(22)27)17-5-9-19(20(26)13-17)23(31)11-7-16-8-12-24(28)29-15(16)2/h5-6,8-10,12-14H,4,7,11H2,1-3H3
InChIKeyJFWOFVPGNHLBCH-UHFFFAOYSA-N
MW456.92 g/mol
LogP6.18
Rot. Bonds7

About N-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide

N-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide (PubChem CID 167558203) has the molecular formula C25H23ClF2N2O2 and a molecular weight of 456.92 g/mol. Its IUPAC name is N-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide
PubChem CID167558203
Molecular FormulaC25H23ClF2N2O2
Molecular Weight456.92 g/mol
Exact Mass456.14
IUPAC NameN-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)c(Cl)c2)cc1F
InChIInChI=1S/C25H23ClF2N2O2/c1-4-25(32)30(3)22-10-6-18(14-21(22)27)17-5-9-19(20(26)13-17)23(31)11-7-16-8-12-24(28)29-15(16)2/h5-6,8-10,12-14H,4,7,11H2,1-3H3
InChIKeyJFWOFVPGNHLBCH-UHFFFAOYSA-N
XLogP6.18
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.92
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-chloro-4-[6-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167705958
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167657462
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-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide
CID 167539534
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
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167711956
N-[2-fluoro-4-[3-hydroxy-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167660370
N-[3-chloro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167531654
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167542746
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-[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167602133
N-[2-chloro-4-[6-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167638558

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide?
The IUPAC name of N-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide (CID 167558203) is N-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)c(Cl)c2)cc1F.
What is the InChIKey of N-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide?
The InChIKey is JFWOFVPGNHLBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClF2N2O2/c1-4-25(32)30(3)22-10-6-18(14-21(22)27)17-5-9-19(20(26)13-17)23(31)11-7-16-8-12-24(28)29-15(16)2/h5-6,8-10,12-14H,4,7,11H2,1-3H3.
What are the key properties of N-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide?
N-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide has a molecular weight of 456.92 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide is sourced from PubChem (CID 167558203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).