N-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide

C24H22Cl2FN3O2 — CID 162428308

IUPACN-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
SMILESCCC(F)c1ccccc1N(C(C)=O)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C24H22Cl2FN3O2/c1-3-21(27)17-7-4-5-10-22(17)30(15(2)31)23-13-16(11-12-28-23)29-24(32)14-18-19(25)8-6-9-20(18)26/h4-13,21H,3,14H2,1-2H3,(H,28,29,32)
InChIKeyQUUZTLYMFLSQRK-UHFFFAOYSA-N
MW474.36 g/mol
LogP6.67
Rot. Bonds7

About N-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide

N-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide (PubChem CID 162428308) has the molecular formula C24H22Cl2FN3O2 and a molecular weight of 474.36 g/mol. Its IUPAC name is N-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
PubChem CID162428308
Molecular FormulaC24H22Cl2FN3O2
Molecular Weight474.36 g/mol
Exact Mass473.11
IUPAC NameN-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
SMILESCCC(F)c1ccccc1N(C(C)=O)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1
InChIInChI=1S/C24H22Cl2FN3O2/c1-3-21(27)17-7-4-5-10-22(17)30(15(2)31)23-13-16(11-12-28-23)29-24(32)14-18-19(25)8-6-9-20(18)26/h4-13,21H,3,14H2,1-2H3,(H,28,29,32)
InChIKeyQUUZTLYMFLSQRK-UHFFFAOYSA-N
XLogP6.67
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.36
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162428425
N-[2-[acetyl(pyridin-4-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746510
N-[2-[acetyl-(4-methoxypyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746793
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162746745
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-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 162746618
N-[2-[acetyl-(5-fluoro-2-methyl-4-pyridinyl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746501
N-[2-[acetyl-(2-methylpyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 162746856
N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 162746788
N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide
CID 162428331
N-[2-[acetyl(1,3-benzoxazol-6-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 162746899

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
The IUPAC name of N-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide (CID 162428308) is N-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for N-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for N-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide is CCC(F)c1ccccc1N(C(C)=O)c1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccn1.
What is the InChIKey of N-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
The InChIKey is QUUZTLYMFLSQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2FN3O2/c1-3-21(27)17-7-4-5-10-22(17)30(15(2)31)23-13-16(11-12-28-23)29-24(32)14-18-19(25)8-6-9-20(18)26/h4-13,21H,3,14H2,1-2H3,(H,28,29,32).
What are the key properties of N-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide?
N-[2-[N-acetyl-2-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide has a molecular weight of 474.36 g/mol, XLogP of 6.67, 7 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-(1-fluoropropyl)anilino]-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 162428308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).