N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide

C21H19F2N3O3 — CID 113036450

IUPACN-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3ccc(F)cc3F)cn2)cc1OC
InChIInChI=1S/C21H19F2N3O3/c1-28-18-7-3-13(9-19(18)29-2)10-21(27)26-20-8-5-15(12-24-20)25-17-6-4-14(22)11-16(17)23/h3-9,11-12,25H,10H2,1-2H3,(H,24,26,27)
InChIKeyZSJZFPYNBZHDTA-UHFFFAOYSA-N
MW399.40 g/mol
LogP4.30
Rot. Bonds7

About N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide

N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 113036450) has the molecular formula C21H19F2N3O3 and a molecular weight of 399.40 g/mol. Its IUPAC name is N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID113036450
Molecular FormulaC21H19F2N3O3
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC NameN-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(Nc3ccc(F)cc3F)cn2)cc1OC
InChIInChI=1S/C21H19F2N3O3/c1-28-18-7-3-13(9-19(18)29-2)10-21(27)26-20-8-5-15(12-24-20)25-17-6-4-14(22)11-16(17)23/h3-9,11-12,25H,10H2,1-2H3,(H,24,26,27)
InChIKeyZSJZFPYNBZHDTA-UHFFFAOYSA-N
XLogP4.30
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[5-(2,5-dimethylanilino)-2-pyridinyl]acetamide
CID 113032044
2-(3,4-dimethoxyphenyl)-N-[6-(3-fluoroanilino)-3-pyridinyl]acetamide
CID 113021300
2-(3,4-dimethoxyphenyl)-N-[5-(2,3-dimethylanilino)-2-pyridinyl]acetamide
CID 113032344
N-[5-(butylamino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113024001
2-(3,4-dimethoxyphenyl)-N-[5-(3-methoxypropylamino)-2-pyridinyl]acetamide
CID 113025196
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113000840
2-(4-chlorophenyl)-N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]acetamide
CID 113034700
N-[5-(3-cyanoanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113037183
N-(2,4-difluorophenyl)-6-(3,4-dimethoxyanilino)pyridazine-3-carboxamide
CID 109129713
N-[6-(2-chloroanilino)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113018440
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-ethylbutanamide
CID 113036420
2-(3,4-dimethoxyphenyl)-N-[6-(2-methoxyethylamino)-3-pyridinyl]acetamide
CID 113010361

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide (CID 113036450) is N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(Nc3ccc(F)cc3F)cn2)cc1OC.
What is the InChIKey of N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is ZSJZFPYNBZHDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O3/c1-28-18-7-3-13(9-19(18)29-2)10-21(27)26-20-8-5-15(12-24-20)25-17-6-4-14(22)11-16(17)23/h3-9,11-12,25H,10H2,1-2H3,(H,24,26,27).
What are the key properties of N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 399.40 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-difluoroanilino)-2-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 113036450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).