N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide

C19H15Cl2N3O2 — CID 113033388

IUPACN-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C19H15Cl2N3O2/c20-13-1-5-15(6-2-13)23-16-7-10-18(22-11-16)24-19(25)12-26-17-8-3-14(21)4-9-17/h1-11,23H,12H2,(H,22,24,25)
InChIKeyXHCSDOQFCGGSHW-UHFFFAOYSA-N
MW388.25 g/mol
LogP5.15
Rot. Bonds6

About N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide

N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide (PubChem CID 113033388) has the molecular formula C19H15Cl2N3O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide
PubChem CID113033388
Molecular FormulaC19H15Cl2N3O2
Molecular Weight388.25 g/mol
Exact Mass387.05
IUPAC NameN-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1ccc(Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C19H15Cl2N3O2/c20-13-1-5-15(6-2-13)23-16-7-10-18(22-11-16)24-19(25)12-26-17-8-3-14(21)4-9-17/h1-11,23H,12H2,(H,22,24,25)
InChIKeyXHCSDOQFCGGSHW-UHFFFAOYSA-N
XLogP5.15
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.25
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-[5-(2,6-difluoroanilino)-2-pyridinyl]acetamide
CID 113037511
2-(4-chlorophenoxy)-N-[5-(2-methylanilino)-2-pyridinyl]acetamide
CID 113031330
2-(4-chlorophenoxy)-N-[6-(2,6-dimethylanilino)-3-pyridinyl]acetamide
CID 113017182
N-(5-chloro-2-pyridinyl)-2-(4-ethoxyphenoxy)acetamide
CID 34135089
2-(4-chlorophenoxy)-N-[6-(cyclohexylamino)-3-pyridinyl]acetamide
CID 113010077
2-(4-chlorophenoxy)-N-[6-(2,4-difluoroanilino)-3-pyridinyl]acetamide
CID 113021877
N-[5-[2-(4-chlorophenyl)ethylamino]-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113029025
2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]acetamide
CID 113026614
N-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-2-(4-methylphenoxy)acetamide
CID 113033839
2-(4-chlorophenoxy)-N-[6-(2-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019614
2-(4-chlorophenoxy)-N-(6-methyl-3-pyridinyl)acetamide;ethane
CID 153349413
2-(4-chlorophenoxy)-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]acetamide
CID 113017751

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide (CID 113033388) is N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1)Nc1ccc(Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide?
The InChIKey is XHCSDOQFCGGSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O2/c20-13-1-5-15(6-2-13)23-16-7-10-18(22-11-16)24-19(25)12-26-17-8-3-14(21)4-9-17/h1-11,23H,12H2,(H,22,24,25).
What are the key properties of N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide?
N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide has a molecular weight of 388.25 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chloroanilino)-2-pyridinyl]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 113033388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).