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

C42H33Cl2F3N6O4 — CID 175417454

IUPACN-[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
SMILESCC(=O)N(c1cccc(F)c1)c1cc(NC(=O)Cc2ccc(F)cc2Cl)ccn1.CC(=O)N(c1cccc(F)c1)c1cc(NC(=O)Cc2ccccc2Cl)ccn1
InChIInChI=1S/C21H16ClF2N3O2.C21H17ClFN3O2/c1-13(28)27(18-4-2-3-15(23)10-18)20-12-17(7-8-25-20)26-21(29)9-14-5-6-16(24)11-19(14)22;1-14(27)26(18-7-4-6-16(23)12-18)20-13-17(9-10-24-20)25-21(28)11-15-5-2-3-8-19(15)22/h2-8,10-12H,9H2,1H3,(H,25,26,29);2-10,12-13H,11H2,1H3,(H,24,25,28)
InChIKeyIQFRUKQBVOYDFF-UHFFFAOYSA-N
MW813.66 g/mol
LogP9.62
Rot. Bonds10

About 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

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 (PubChem CID 175417454) has the molecular formula C42H33Cl2F3N6O4 and a molecular weight of 813.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID175417454
Molecular FormulaC42H33Cl2F3N6O4
Molecular Weight813.66 g/mol
Exact Mass812.19
IUPAC NameN-[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
SMILESCC(=O)N(c1cccc(F)c1)c1cc(NC(=O)Cc2ccc(F)cc2Cl)ccn1.CC(=O)N(c1cccc(F)c1)c1cc(NC(=O)Cc2ccccc2Cl)ccn1
InChIInChI=1S/C21H16ClF2N3O2.C21H17ClFN3O2/c1-13(28)27(18-4-2-3-15(23)10-18)20-12-17(7-8-25-20)26-21(29)9-14-5-6-16(24)11-19(14)22;1-14(27)26(18-7-4-6-16(23)12-18)20-13-17(9-10-24-20)25-21(28)11-15-5-2-3-8-19(15)22/h2-8,10-12H,9H2,1H3,(H,25,26,29);2-10,12-13H,11H2,1H3,(H,24,25,28)
InChIKeyIQFRUKQBVOYDFF-UHFFFAOYSA-N
XLogP9.62
TPSA124.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.66
LogP ≤ 59.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 162746618
N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 162746899
N-[2-[acetyl-(2-methylpyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 162746856
N-[2-[acetyl(pyridin-4-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746510
N-[2-(N-acetyl-4-fluoroanilino)-4-pyridinyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 162428244
N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746556
N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746490
N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162428425
N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 162746862
N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide
CID 162428357
N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 162746788
N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide
CID 162746509

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N(c1cccc(F)c1)c1cc(NC(=O)Cc2ccc(F)cc2Cl)ccn1.CC(=O)N(c1cccc(F)c1)c1cc(NC(=O)Cc2ccccc2Cl)ccn1.
What is the InChIKey of 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?
The InChIKey is IQFRUKQBVOYDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF2N3O2.C21H17ClFN3O2/c1-13(28)27(18-4-2-3-15(23)10-18)20-12-17(7-8-25-20)26-21(29)9-14-5-6-16(24)11-19(14)22;1-14(27)26(18-7-4-6-16(23)12-18)20-13-17(9-10-24-20)25-21(28)11-15-5-2-3-8-19(15)22/h2-8,10-12H,9H2,1H3,(H,25,26,29);2-10,12-13H,11H2,1H3,(H,24,25,28).
What are the key properties of 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?
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 has a molecular weight of 813.66 g/mol, XLogP of 9.62, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175417454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).