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

C21H15Cl2F2N3O2 — CID 162428425

IUPACN-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
SMILESCC(=O)N(c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1)c1cccc(F)c1F
InChIInChI=1S/C21H15Cl2F2N3O2/c1-12(29)28(18-7-3-6-17(24)21(18)25)19-10-13(8-9-26-19)27-20(30)11-14-15(22)4-2-5-16(14)23/h2-10H,11H2,1H3,(H,26,27,30)
InChIKeyOPNHOHNRMTZSDQ-UHFFFAOYSA-N
MW450.27 g/mol
LogP5.53
Rot. Bonds5

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

N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide (PubChem CID 162428425) has the molecular formula C21H15Cl2F2N3O2 and a molecular weight of 450.27 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
PubChem CID162428425
Molecular FormulaC21H15Cl2F2N3O2
Molecular Weight450.27 g/mol
Exact Mass449.05
IUPAC NameN-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
SMILESCC(=O)N(c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1)c1cccc(F)c1F
InChIInChI=1S/C21H15Cl2F2N3O2/c1-12(29)28(18-7-3-6-17(24)21(18)25)19-10-13(8-9-26-19)27-20(30)11-14-15(22)4-2-5-16(14)23/h2-10H,11H2,1H3,(H,26,27,30)
InChIKeyOPNHOHNRMTZSDQ-UHFFFAOYSA-N
XLogP5.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.27
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl(pyridin-4-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746510
N-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162428308
N-[2-[acetyl-(5-fluoro-2-methyl-4-pyridinyl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746501
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746745
N-[2-[acetyl-(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746793
N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide
CID 162428357
N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide
CID 162428154
N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 162746788
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-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide
CID 162428331
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide (CID 162428425) is N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide is CC(=O)N(c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1)c1cccc(F)c1F.
What is the InChIKey of N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is OPNHOHNRMTZSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2F2N3O2/c1-12(29)28(18-7-3-6-17(24)21(18)25)19-10-13(8-9-26-19)27-20(30)11-14-15(22)4-2-5-16(14)23/h2-10H,11H2,1H3,(H,26,27,30).
What are the key properties of N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 450.27 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 162428425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).