N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide

C23H20Cl2FN3O2 — CID 162428357

IUPACN-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide
SMILESCCCC(=O)N(c1ccc(F)cc1)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C23H20Cl2FN3O2/c1-2-4-23(31)29(17-9-7-15(26)8-10-17)21-13-16(11-12-27-21)28-22(30)14-18-19(24)5-3-6-20(18)25/h3,5-13H,2,4,14H2,1H3,(H,27,28,30)
InChIKeyRMYVLQXZYHQULJ-UHFFFAOYSA-N
MW460.34 g/mol
LogP6.17
Rot. Bonds7

About N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide

N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide (PubChem CID 162428357) has the molecular formula C23H20Cl2FN3O2 and a molecular weight of 460.34 g/mol. Its IUPAC name is N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide
PubChem CID162428357
Molecular FormulaC23H20Cl2FN3O2
Molecular Weight460.34 g/mol
Exact Mass459.09
IUPAC NameN-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide
SMILESCCCC(=O)N(c1ccc(F)cc1)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C23H20Cl2FN3O2/c1-2-4-23(31)29(17-9-7-15(26)8-10-17)21-13-16(11-12-27-21)28-22(30)14-18-19(24)5-3-6-20(18)25/h3,5-13H,2,4,14H2,1H3,(H,27,28,30)
InChIKeyRMYVLQXZYHQULJ-UHFFFAOYSA-N
XLogP6.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.34
LogP ≤ 56.17
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-2,3-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-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162428308
N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide
CID 162428154
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-4-fluoroanilino)-4-pyridinyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 162428244
N-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide
CID 162746743
N-[2-[acetyl-(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746793
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-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide?
The IUPAC name of N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide (CID 162428357) is N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide?
The canonical SMILES for N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide is CCCC(=O)N(c1ccc(F)cc1)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1.
What is the InChIKey of N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide?
The InChIKey is RMYVLQXZYHQULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2FN3O2/c1-2-4-23(31)29(17-9-7-15(26)8-10-17)21-13-16(11-12-27-21)28-22(30)14-18-19(24)5-3-6-20(18)25/h3,5-13H,2,4,14H2,1H3,(H,27,28,30).
What are the key properties of N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide?
N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide has a molecular weight of 460.34 g/mol, XLogP of 6.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]-N-(4-fluorophenyl)butanamide is sourced from PubChem (CID 162428357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).