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

C16H16Cl2N2O2 — CID 24825637

IUPAC2-(2,6-dichloro-3-methylanilino)-N-(2-hydroxyethyl)benzamide
SMILESCc1ccc(Cl)c(Nc2ccccc2C(=O)NCCO)c1Cl
InChIInChI=1S/C16H16Cl2N2O2/c1-10-6-7-12(17)15(14(10)18)20-13-5-3-2-4-11(13)16(22)19-8-9-21/h2-7,20-21H,8-9H2,1H3,(H,19,22)
InChIKeyYBHLBHNOYSSMNT-UHFFFAOYSA-N
MW339.22 g/mol
LogP3.77
Rot. Bonds5

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

2-(2,6-dichloro-3-methylanilino)-N-(2-hydroxyethyl)benzamide (PubChem CID 24825637) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 2-(2,6-dichloro-3-methylanilino)-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2-(2,6-dichloro-3-methylanilino)-N-(2-hydroxyethyl)benzamide
PubChem CID24825637
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name2-(2,6-dichloro-3-methylanilino)-N-(2-hydroxyethyl)benzamide
SMILESCc1ccc(Cl)c(Nc2ccccc2C(=O)NCCO)c1Cl
InChIInChI=1S/C16H16Cl2N2O2/c1-10-6-7-12(17)15(14(10)18)20-13-5-3-2-4-11(13)16(22)19-8-9-21/h2-7,20-21H,8-9H2,1H3,(H,19,22)
InChIKeyYBHLBHNOYSSMNT-UHFFFAOYSA-N
XLogP3.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-3-methylanilino)-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 2-(2,6-dichloro-3-methylanilino)-N-(2-hydroxyethyl)benzamide (CID 24825637) is 2-(2,6-dichloro-3-methylanilino)-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 2-(2,6-dichloro-3-methylanilino)-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 2-(2,6-dichloro-3-methylanilino)-N-(2-hydroxyethyl)benzamide is Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCO)c1Cl.
What is the InChIKey of 2-(2,6-dichloro-3-methylanilino)-N-(2-hydroxyethyl)benzamide?
The InChIKey is YBHLBHNOYSSMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-10-6-7-12(17)15(14(10)18)20-13-5-3-2-4-11(13)16(22)19-8-9-21/h2-7,20-21H,8-9H2,1H3,(H,19,22).
What are the key properties of 2-(2,6-dichloro-3-methylanilino)-N-(2-hydroxyethyl)benzamide?
2-(2,6-dichloro-3-methylanilino)-N-(2-hydroxyethyl)benzamide has a molecular weight of 339.22 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 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-hydroxyethyl)benzamide is sourced from PubChem (CID 24825637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).