2,6-dichloro-N-[[4-[(6-chloro-5-cyano-2-pyridinyl)oxy]-3,5-dimethylphenyl]carbamoyl]benzamide

C22H15Cl3N4O3 — CID 19072913

IUPAC2,6-dichloro-N-[[4-[(6-chloro-5-cyano-2-pyridinyl)oxy]-3,5-dimethylphenyl]carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)cc(C)c1Oc1ccc(C#N)c(Cl)n1
InChIInChI=1S/C22H15Cl3N4O3/c1-11-8-14(27-22(31)29-21(30)18-15(23)4-3-5-16(18)24)9-12(2)19(11)32-17-7-6-13(10-26)20(25)28-17/h3-9H,1-2H3,(H2,27,29,30,31)
InChIKeySZKKRFKTRAQBAG-UHFFFAOYSA-N
MW489.75 g/mol
LogP6.28
Rot. Bonds4

About 2,6-dichloro-N-[[4-[(6-chloro-5-cyano-2-pyridinyl)oxy]-3,5-dimethylphenyl]carbamoyl]benzamide

2,6-dichloro-N-[[4-[(6-chloro-5-cyano-2-pyridinyl)oxy]-3,5-dimethylphenyl]carbamoyl]benzamide (PubChem CID 19072913) has the molecular formula C22H15Cl3N4O3 and a molecular weight of 489.75 g/mol. Its IUPAC name is 2,6-dichloro-N-[[4-[(6-chloro-5-cyano-2-pyridinyl)oxy]-3,5-dimethylphenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[[4-[(6-chloro-5-cyano-2-pyridinyl)oxy]-3,5-dimethylphenyl]carbamoyl]benzamide
PubChem CID19072913
Molecular FormulaC22H15Cl3N4O3
Molecular Weight489.75 g/mol
Exact Mass488.02
IUPAC Name2,6-dichloro-N-[[4-[(6-chloro-5-cyano-2-pyridinyl)oxy]-3,5-dimethylphenyl]carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)cc(C)c1Oc1ccc(C#N)c(Cl)n1
InChIInChI=1S/C22H15Cl3N4O3/c1-11-8-14(27-22(31)29-21(30)18-15(23)4-3-5-16(18)24)9-12(2)19(11)32-17-7-6-13(10-26)20(25)28-17/h3-9H,1-2H3,(H2,27,29,30,31)
InChIKeySZKKRFKTRAQBAG-UHFFFAOYSA-N
XLogP6.28
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.75
LogP ≤ 56.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[[4-[(6-chloro-5-cyano-2-pyridinyl)oxy]-3,5-dimethylphenyl]carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[[4-[(6-chloro-5-cyano-2-pyridinyl)oxy]-3,5-dimethylphenyl]carbamoyl]benzamide (CID 19072913) is 2,6-dichloro-N-[[4-[(6-chloro-5-cyano-2-pyridinyl)oxy]-3,5-dimethylphenyl]carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[[4-[(6-chloro-5-cyano-2-pyridinyl)oxy]-3,5-dimethylphenyl]carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[[4-[(6-chloro-5-cyano-2-pyridinyl)oxy]-3,5-dimethylphenyl]carbamoyl]benzamide is Cc1cc(NC(=O)NC(=O)c2c(Cl)cccc2Cl)cc(C)c1Oc1ccc(C#N)c(Cl)n1.
What is the InChIKey of 2,6-dichloro-N-[[4-[(6-chloro-5-cyano-2-pyridinyl)oxy]-3,5-dimethylphenyl]carbamoyl]benzamide?
The InChIKey is SZKKRFKTRAQBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3N4O3/c1-11-8-14(27-22(31)29-21(30)18-15(23)4-3-5-16(18)24)9-12(2)19(11)32-17-7-6-13(10-26)20(25)28-17/h3-9H,1-2H3,(H2,27,29,30,31).
What are the key properties of 2,6-dichloro-N-[[4-[(6-chloro-5-cyano-2-pyridinyl)oxy]-3,5-dimethylphenyl]carbamoyl]benzamide?
2,6-dichloro-N-[[4-[(6-chloro-5-cyano-2-pyridinyl)oxy]-3,5-dimethylphenyl]carbamoyl]benzamide has a molecular weight of 489.75 g/mol, XLogP of 6.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[[4-[(6-chloro-5-cyano-2-pyridinyl)oxy]-3,5-dimethylphenyl]carbamoyl]benzamide is sourced from PubChem (CID 19072913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).