N-[1-(4-chlorophenyl)-2-(2,6-dimethylanilino)-2-oxoethyl]-2-hydroxybenzamide

C23H21ClN2O3 — CID 4654636

IUPACN-[1-(4-chlorophenyl)-2-(2,6-dimethylanilino)-2-oxoethyl]-2-hydroxybenzamide
SMILESCc1cccc(C)c1NC(=O)C(NC(=O)c1ccccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O3/c1-14-6-5-7-15(2)20(14)25-23(29)21(16-10-12-17(24)13-11-16)26-22(28)18-8-3-4-9-19(18)27/h3-13,21,27H,1-2H3,(H,25,29)(H,26,28)
InChIKeyIKUKKMPLIJUADU-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.77
Rot. Bonds5

About N-[1-(4-chlorophenyl)-2-(2,6-dimethylanilino)-2-oxoethyl]-2-hydroxybenzamide

N-[1-(4-chlorophenyl)-2-(2,6-dimethylanilino)-2-oxoethyl]-2-hydroxybenzamide (PubChem CID 4654636) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-2-(2,6-dimethylanilino)-2-oxoethyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-2-(2,6-dimethylanilino)-2-oxoethyl]-2-hydroxybenzamide
PubChem CID4654636
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN-[1-(4-chlorophenyl)-2-(2,6-dimethylanilino)-2-oxoethyl]-2-hydroxybenzamide
SMILESCc1cccc(C)c1NC(=O)C(NC(=O)c1ccccc1O)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O3/c1-14-6-5-7-15(2)20(14)25-23(29)21(16-10-12-17(24)13-11-16)26-22(28)18-8-3-4-9-19(18)27/h3-13,21,27H,1-2H3,(H,25,29)(H,26,28)
InChIKeyIKUKKMPLIJUADU-UHFFFAOYSA-N
XLogP4.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-2-(2,6-dimethylanilino)-2-oxoethyl]-2-hydroxybenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)-2-(2,6-dimethylanilino)-2-oxoethyl]-2-hydroxybenzamide (CID 4654636) is N-[1-(4-chlorophenyl)-2-(2,6-dimethylanilino)-2-oxoethyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-2-(2,6-dimethylanilino)-2-oxoethyl]-2-hydroxybenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-2-(2,6-dimethylanilino)-2-oxoethyl]-2-hydroxybenzamide is Cc1cccc(C)c1NC(=O)C(NC(=O)c1ccccc1O)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)-2-(2,6-dimethylanilino)-2-oxoethyl]-2-hydroxybenzamide?
The InChIKey is IKUKKMPLIJUADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c1-14-6-5-7-15(2)20(14)25-23(29)21(16-10-12-17(24)13-11-16)26-22(28)18-8-3-4-9-19(18)27/h3-13,21,27H,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-(4-chlorophenyl)-2-(2,6-dimethylanilino)-2-oxoethyl]-2-hydroxybenzamide?
N-[1-(4-chlorophenyl)-2-(2,6-dimethylanilino)-2-oxoethyl]-2-hydroxybenzamide has a molecular weight of 408.89 g/mol, XLogP of 4.77, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-2-(2,6-dimethylanilino)-2-oxoethyl]-2-hydroxybenzamide is sourced from PubChem (CID 4654636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).