2-(2,6-dichloro-3-methylanilino)-N-(2-phenoxyethyl)benzamide

C22H20Cl2N2O2 — CID 10409583

IUPAC2-(2,6-dichloro-3-methylanilino)-N-(2-phenoxyethyl)benzamide
SMILESCc1ccc(Cl)c(Nc2ccccc2C(=O)NCCOc2ccccc2)c1Cl
InChIInChI=1S/C22H20Cl2N2O2/c1-15-11-12-18(23)21(20(15)24)26-19-10-6-5-9-17(19)22(27)25-13-14-28-16-7-3-2-4-8-16/h2-12,26H,13-14H2,1H3,(H,25,27)
InChIKeyCBUNQTSLJBKXPU-UHFFFAOYSA-N
MW415.32 g/mol
LogP5.85
Rot. Bonds7

About 2-(2,6-dichloro-3-methylanilino)-N-(2-phenoxyethyl)benzamide

2-(2,6-dichloro-3-methylanilino)-N-(2-phenoxyethyl)benzamide (PubChem CID 10409583) has the molecular formula C22H20Cl2N2O2 and a molecular weight of 415.32 g/mol. Its IUPAC name is 2-(2,6-dichloro-3-methylanilino)-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name2-(2,6-dichloro-3-methylanilino)-N-(2-phenoxyethyl)benzamide
PubChem CID10409583
Molecular FormulaC22H20Cl2N2O2
Molecular Weight415.32 g/mol
Exact Mass414.09
IUPAC Name2-(2,6-dichloro-3-methylanilino)-N-(2-phenoxyethyl)benzamide
SMILESCc1ccc(Cl)c(Nc2ccccc2C(=O)NCCOc2ccccc2)c1Cl
InChIInChI=1S/C22H20Cl2N2O2/c1-15-11-12-18(23)21(20(15)24)26-19-10-6-5-9-17(19)22(27)25-13-14-28-16-7-3-2-4-8-16/h2-12,26H,13-14H2,1H3,(H,25,27)
InChIKeyCBUNQTSLJBKXPU-UHFFFAOYSA-N
XLogP5.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-3-methylanilino)-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 2-(2,6-dichloro-3-methylanilino)-N-(2-phenoxyethyl)benzamide (CID 10409583) is 2-(2,6-dichloro-3-methylanilino)-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 2-(2,6-dichloro-3-methylanilino)-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 2-(2,6-dichloro-3-methylanilino)-N-(2-phenoxyethyl)benzamide is Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCOc2ccccc2)c1Cl.
What is the InChIKey of 2-(2,6-dichloro-3-methylanilino)-N-(2-phenoxyethyl)benzamide?
The InChIKey is CBUNQTSLJBKXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O2/c1-15-11-12-18(23)21(20(15)24)26-19-10-6-5-9-17(19)22(27)25-13-14-28-16-7-3-2-4-8-16/h2-12,26H,13-14H2,1H3,(H,25,27).
What are the key properties of 2-(2,6-dichloro-3-methylanilino)-N-(2-phenoxyethyl)benzamide?
2-(2,6-dichloro-3-methylanilino)-N-(2-phenoxyethyl)benzamide has a molecular weight of 415.32 g/mol, XLogP of 5.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-3-methylanilino)-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 10409583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).