N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide

C20H16Cl2N2O3 — CID 86933421

IUPACN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide
SMILESCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(Cl)nc2)cc1
InChIInChI=1S/C20H16Cl2N2O3/c1-26-15-4-6-16(7-5-15)27-18-8-3-14(21)11-17(18)24-20(25)10-13-2-9-19(22)23-12-13/h2-9,11-12H,10H2,1H3,(H,24,25)
InChIKeyPJBLXKWVYGDRPQ-UHFFFAOYSA-N
MW403.27 g/mol
LogP5.37
Rot. Bonds6

About N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide

N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide (PubChem CID 86933421) has the molecular formula C20H16Cl2N2O3 and a molecular weight of 403.27 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide
PubChem CID86933421
Molecular FormulaC20H16Cl2N2O3
Molecular Weight403.27 g/mol
Exact Mass402.05
IUPAC NameN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide
SMILESCOc1ccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(Cl)nc2)cc1
InChIInChI=1S/C20H16Cl2N2O3/c1-26-15-4-6-16(7-5-15)27-18-8-3-14(21)11-17(18)24-20(25)10-13-2-9-19(22)23-12-13/h2-9,11-12H,10H2,1H3,(H,24,25)
InChIKeyPJBLXKWVYGDRPQ-UHFFFAOYSA-N
XLogP5.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.27
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[5-chloro-2-(4-methoxyphenoxy)phenyl]pyridine-3-carboxamide
CID 26267192
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-(3,4-dimethylphenyl)propanamide
CID 100665009
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide
CID 56501217
N-(5-chloro-2-hydroxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 893789
2-(4-acetamidophenyl)-N-[5-chloro-2-(4-methylphenoxy)phenyl]acetamide
CID 18195978
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-6-methoxypyridine-3-carboxamide
CID 134056596
N-(2-bromo-4-chlorophenyl)-2-(4-methoxyphenyl)acetamide
CID 81028782
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 100586436
N'-(5-chloro-2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2274078
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(3-phenylpropylsulfonyl)acetamide
CID 55687945
N-(5-chloro-2-methoxyphenyl)-2-[3-(4-methoxyphenyl)propyl-methylamino]acetamide
CID 60561036

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide?
The IUPAC name of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide (CID 86933421) is N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide.
What is the SMILES notation for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide?
The canonical SMILES for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide is COc1ccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(Cl)nc2)cc1.
What is the InChIKey of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide?
The InChIKey is PJBLXKWVYGDRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O3/c1-26-15-4-6-16(7-5-15)27-18-8-3-14(21)11-17(18)24-20(25)10-13-2-9-19(22)23-12-13/h2-9,11-12H,10H2,1H3,(H,24,25).
What are the key properties of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide?
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide has a molecular weight of 403.27 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-(6-chloro-3-pyridinyl)acetamide is sourced from PubChem (CID 86933421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).