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

C23H20ClF2N3O2 — CID 162428331

IUPACN-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCC(=O)N(c1ccc(F)c(F)c1)c1cc(NC(=O)Cc2c(C)cc(C)cc2Cl)ccn1
InChIInChI=1S/C23H20ClF2N3O2/c1-13-8-14(2)18(19(24)9-13)12-23(31)28-16-6-7-27-22(10-16)29(15(3)30)17-4-5-20(25)21(26)11-17/h4-11H,12H2,1-3H3,(H,27,28,31)
InChIKeyLJIVCJHESNMPHD-UHFFFAOYSA-N
MW443.88 g/mol
LogP5.50
Rot. Bonds5

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

N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide (PubChem CID 162428331) has the molecular formula C23H20ClF2N3O2 and a molecular weight of 443.88 g/mol. Its IUPAC name is N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide
PubChem CID162428331
Molecular FormulaC23H20ClF2N3O2
Molecular Weight443.88 g/mol
Exact Mass443.12
IUPAC NameN-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide
SMILESCC(=O)N(c1ccc(F)c(F)c1)c1cc(NC(=O)Cc2c(C)cc(C)cc2Cl)ccn1
InChIInChI=1S/C23H20ClF2N3O2/c1-13-8-14(2)18(19(24)9-13)12-23(31)28-16-6-7-27-22(10-16)29(15(3)30)17-4-5-20(25)21(26)11-17/h4-11H,12H2,1-3H3,(H,27,28,31)
InChIKeyLJIVCJHESNMPHD-UHFFFAOYSA-N
XLogP5.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.88
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide
CID 162428154
N-[2-[acetyl(pyridin-4-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746510
N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162428425
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-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-(3-chloro-4-methylphenyl)-N-[4-(oxidoamino)-2-pyridinyl]acetamide
CID 169022993
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-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide
CID 162746509
N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide
CID 162428357
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-chloro-4,6-dimethylphenyl)acetamide?
The IUPAC name of N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide (CID 162428331) is N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide.
What is the SMILES notation for N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide?
The canonical SMILES for N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide is CC(=O)N(c1ccc(F)c(F)c1)c1cc(NC(=O)Cc2c(C)cc(C)cc2Cl)ccn1.
What is the InChIKey of N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide?
The InChIKey is LJIVCJHESNMPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF2N3O2/c1-13-8-14(2)18(19(24)9-13)12-23(31)28-16-6-7-27-22(10-16)29(15(3)30)17-4-5-20(25)21(26)11-17/h4-11H,12H2,1-3H3,(H,27,28,31).
What are the key properties of N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide?
N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide has a molecular weight of 443.88 g/mol, XLogP of 5.50, 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-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide is sourced from PubChem (CID 162428331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).