2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide

C23H22Cl2N4O3 — CID 60536689

IUPAC2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CNc1ccccc1Oc1ncc(Cl)cc1Cl)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H22Cl2N4O3/c24-16-13-19(25)23(27-14-16)32-21-4-2-1-3-20(21)26-15-22(30)28-17-5-7-18(8-6-17)29-9-11-31-12-10-29/h1-8,13-14,26H,9-12,15H2,(H,28,30)
InChIKeyQPTGHQDYKCFUHX-UHFFFAOYSA-N
MW473.36 g/mol
LogP5.07
Rot. Bonds7

About 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 60536689) has the molecular formula C23H22Cl2N4O3 and a molecular weight of 473.36 g/mol. Its IUPAC name is 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID60536689
Molecular FormulaC23H22Cl2N4O3
Molecular Weight473.36 g/mol
Exact Mass472.11
IUPAC Name2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(CNc1ccccc1Oc1ncc(Cl)cc1Cl)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H22Cl2N4O3/c24-16-13-19(25)23(27-14-16)32-21-4-2-1-3-20(21)26-15-22(30)28-17-5-7-18(8-6-17)29-9-11-31-12-10-29/h1-8,13-14,26H,9-12,15H2,(H,28,30)
InChIKeyQPTGHQDYKCFUHX-UHFFFAOYSA-N
XLogP5.07
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.36
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,6-dimethylphenoxy)anilino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 60587672
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(3,4-difluorophenyl)acetamide
CID 55766468
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60562318
2-(2-acetylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 18078616
2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 9099925
2-(5-acetamido-2-methoxyanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 33161192
N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide
CID 33171709
2-(3-chloro-2-morpholin-4-ylanilino)-N-(3-methoxyphenyl)acetamide
CID 39998814
N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362335
2-(2-morpholin-4-ylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109010529
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 55896774
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(2-phenoxyethyl)acetamide
CID 60536795

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 60536689) is 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide is O=C(CNc1ccccc1Oc1ncc(Cl)cc1Cl)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is QPTGHQDYKCFUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O3/c24-16-13-19(25)23(27-14-16)32-21-4-2-1-3-20(21)26-15-22(30)28-17-5-7-18(8-6-17)29-9-11-31-12-10-29/h1-8,13-14,26H,9-12,15H2,(H,28,30).
What are the key properties of 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 473.36 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 60536689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).