N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide

C23H19Cl2F2N3O2 — CID 162428154

IUPACN-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide
SMILESCCc1cc(Cl)c(CC(=O)Nc2ccnc(N(C(C)=O)c3ccc(F)c(F)c3)c2)c(Cl)c1
InChIInChI=1S/C23H19Cl2F2N3O2/c1-3-14-8-18(24)17(19(25)9-14)12-23(32)29-15-6-7-28-22(10-15)30(13(2)31)16-4-5-20(26)21(27)11-16/h4-11H,3,12H2,1-2H3,(H,28,29,32)
InChIKeyJNFVXEIHNVUKOL-UHFFFAOYSA-N
MW478.33 g/mol
LogP6.09
Rot. Bonds6

About N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide

N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide (PubChem CID 162428154) has the molecular formula C23H19Cl2F2N3O2 and a molecular weight of 478.33 g/mol. Its IUPAC name is N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide
PubChem CID162428154
Molecular FormulaC23H19Cl2F2N3O2
Molecular Weight478.33 g/mol
Exact Mass477.08
IUPAC NameN-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide
SMILESCCc1cc(Cl)c(CC(=O)Nc2ccnc(N(C(C)=O)c3ccc(F)c(F)c3)c2)c(Cl)c1
InChIInChI=1S/C23H19Cl2F2N3O2/c1-3-14-8-18(24)17(19(25)9-14)12-23(32)29-15-6-7-28-22(10-15)30(13(2)31)16-4-5-20(26)21(27)11-16/h4-11H,3,12H2,1-2H3,(H,28,29,32)
InChIKeyJNFVXEIHNVUKOL-UHFFFAOYSA-N
XLogP6.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.33
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide
CID 162428331
N-[2-[acetyl(pyridin-4-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746510
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746745
N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162428425
N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746556
N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide
CID 162428357
N-[2-(N-acetyl-3-fluoroanilino)-4-pyridinyl]-2-(2-chloro-4-fluorophenyl)acetamide;N-[2-(N-acetyl-3-fluoroanilino)-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 175417454
N-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162428308
N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746490
N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide
CID 162746509
N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 162746899
N-[2-(N-acetyl-4-fluoroanilino)-4-pyridinyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 162428244

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide?
The IUPAC name of N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide (CID 162428154) is N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide is CCc1cc(Cl)c(CC(=O)Nc2ccnc(N(C(C)=O)c3ccc(F)c(F)c3)c2)c(Cl)c1.
What is the InChIKey of N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide?
The InChIKey is JNFVXEIHNVUKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F2N3O2/c1-3-14-8-18(24)17(19(25)9-14)12-23(32)29-15-6-7-28-22(10-15)30(13(2)31)16-4-5-20(26)21(27)11-16/h4-11H,3,12H2,1-2H3,(H,28,29,32).
What are the key properties of N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide?
N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide has a molecular weight of 478.33 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide is sourced from PubChem (CID 162428154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).