2-[4-(3-acetamidopropyl)-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide

C25H24Cl2FN3O2 — CID 20596538

IUPAC2-[4-(3-acetamidopropyl)-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
SMILESCC(=O)NCCCc1cc(-c2ccc(F)cc2C)nc(C(C(N)=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C25H24Cl2FN3O2/c1-14-11-17(28)8-9-18(14)21-12-16(5-4-10-30-15(2)32)13-22(31-21)24(25(29)33)23-19(26)6-3-7-20(23)27/h3,6-9,11-13,24H,4-5,10H2,1-2H3,(H2,29,33)(H,30,32)
InChIKeyMWTRAITYSSXCOQ-UHFFFAOYSA-N
MW488.39 g/mol
LogP5.19
Rot. Bonds8

About 2-[4-(3-acetamidopropyl)-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide

2-[4-(3-acetamidopropyl)-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide (PubChem CID 20596538) has the molecular formula C25H24Cl2FN3O2 and a molecular weight of 488.39 g/mol. Its IUPAC name is 2-[4-(3-acetamidopropyl)-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-acetamidopropyl)-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
PubChem CID20596538
Molecular FormulaC25H24Cl2FN3O2
Molecular Weight488.39 g/mol
Exact Mass487.12
IUPAC Name2-[4-(3-acetamidopropyl)-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
SMILESCC(=O)NCCCc1cc(-c2ccc(F)cc2C)nc(C(C(N)=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C25H24Cl2FN3O2/c1-14-11-17(28)8-9-18(14)21-12-16(5-4-10-30-15(2)32)13-22(31-21)24(25(29)33)23-19(26)6-3-7-20(23)27/h3,6-9,11-13,24H,4-5,10H2,1-2H3,(H2,29,33)(H,30,32)
InChIKeyMWTRAITYSSXCOQ-UHFFFAOYSA-N
XLogP5.19
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.39
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-fluorophenyl)-2-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide
CID 21354137
2-[6-(2-chloro-4-fluorophenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 21354159
2-(2,6-difluorophenyl)-2-[6-(4-fluoro-2-methylphenyl)-2-pyridinyl]acetamide
CID 21354118
N-[3-(4-fluorophenyl)propyl]acetamide
CID 58997658
1-chloro-2-(4-fluoro-2-methylphenyl)-3-methylbenzene
CID 66253733
2-(2,6-dichlorophenyl)-2-[6-(2-formylphenyl)-2-pyridinyl]acetamide
CID 21354072
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3-fluorobenzoate
CID 7874655
N-(4-acetamidobutyl)-4-(4-fluorophenyl)butanamide
CID 110355184
N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide
CID 103605841
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994823
4-[6-[2-amino-1-(2,6-dichlorophenyl)-2-oxoethyl]-2-pyridinyl]benzoic acid
CID 21354189
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-(2-chloro-6-fluorophenyl)acetamide
CID 27993119

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-acetamidopropyl)-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-(3-acetamidopropyl)-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide (CID 20596538) is 2-[4-(3-acetamidopropyl)-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-(3-acetamidopropyl)-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-(3-acetamidopropyl)-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide is CC(=O)NCCCc1cc(-c2ccc(F)cc2C)nc(C(C(N)=O)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-[4-(3-acetamidopropyl)-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is MWTRAITYSSXCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2FN3O2/c1-14-11-17(28)8-9-18(14)21-12-16(5-4-10-30-15(2)32)13-22(31-21)24(25(29)33)23-19(26)6-3-7-20(23)27/h3,6-9,11-13,24H,4-5,10H2,1-2H3,(H2,29,33)(H,30,32).
What are the key properties of 2-[4-(3-acetamidopropyl)-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
2-[4-(3-acetamidopropyl)-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 488.39 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-acetamidopropyl)-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-2-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 20596538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).