N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide

C25H23F3N2O3 — CID 167657462

IUPACN-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)c(OC)c2)cc1F
InChIInChI=1S/C25H23F3N2O3/c1-4-24(32)30(2)20-10-6-16(13-19(20)26)17-5-9-18(22(14-17)33-3)21(31)11-7-15-8-12-23(27)29-25(15)28/h5-6,8-10,12-14H,4,7,11H2,1-3H3
InChIKeyCEGBHNVVJYKHGI-UHFFFAOYSA-N
MW456.46 g/mol
LogP5.36
Rot. Bonds8

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

N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide (PubChem CID 167657462) has the molecular formula C25H23F3N2O3 and a molecular weight of 456.46 g/mol. Its IUPAC name is N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide
PubChem CID167657462
Molecular FormulaC25H23F3N2O3
Molecular Weight456.46 g/mol
Exact Mass456.17
IUPAC NameN-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)c(OC)c2)cc1F
InChIInChI=1S/C25H23F3N2O3/c1-4-24(32)30(2)20-10-6-16(13-19(20)26)17-5-9-18(22(14-17)33-3)21(31)11-7-15-8-12-23(27)29-25(15)28/h5-6,8-10,12-14H,4,7,11H2,1-3H3
InChIKeyCEGBHNVVJYKHGI-UHFFFAOYSA-N
XLogP5.36
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.46
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-chloro-4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167558203
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167542746
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide
CID 167554100
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-[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-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide
CID 167595216
N-[2-fluoro-4-[3-hydroxy-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167660370
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-hydroxyphenyl]-2-fluorophenyl]-N-methylpropanamide
CID 167711956
N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]piperazin-1-yl]phenyl]-N-methylpropanamide
CID 167539534
1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one
CID 139808083
N-[2-chloro-4-[6-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167638558
N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167556264

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide?
The IUPAC name of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide (CID 167657462) is N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide.
What is the SMILES notation for N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide?
The canonical SMILES for N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3F)c(OC)c2)cc1F.
What is the InChIKey of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide?
The InChIKey is CEGBHNVVJYKHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3/c1-4-24(32)30(2)20-10-6-16(13-19(20)26)17-5-9-18(22(14-17)33-3)21(31)11-7-15-8-12-23(27)29-25(15)28/h5-6,8-10,12-14H,4,7,11H2,1-3H3.
What are the key properties of N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide?
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide has a molecular weight of 456.46 g/mol, XLogP of 5.36, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methoxyphenyl]-2-fluorophenyl]-N-methylpropanamide is sourced from PubChem (CID 167657462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).