2-[2-(2,6-dichloroanilino)phenyl]-N-(2,6-dimethylphenyl)propanamide

C23H22Cl2N2O — CID 45269044

IUPAC2-[2-(2,6-dichloroanilino)phenyl]-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)c1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C23H22Cl2N2O/c1-14-8-6-9-15(2)21(14)27-23(28)16(3)17-10-4-5-13-20(17)26-22-18(24)11-7-12-19(22)25/h4-13,16,26H,1-3H3,(H,27,28)
InChIKeyBHTKZBRKFXIRTQ-UHFFFAOYSA-N
MW413.35 g/mol
LogP7.10
Rot. Bonds5

About 2-[2-(2,6-dichloroanilino)phenyl]-N-(2,6-dimethylphenyl)propanamide

2-[2-(2,6-dichloroanilino)phenyl]-N-(2,6-dimethylphenyl)propanamide (PubChem CID 45269044) has the molecular formula C23H22Cl2N2O and a molecular weight of 413.35 g/mol. Its IUPAC name is 2-[2-(2,6-dichloroanilino)phenyl]-N-(2,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-[2-(2,6-dichloroanilino)phenyl]-N-(2,6-dimethylphenyl)propanamide
PubChem CID45269044
Molecular FormulaC23H22Cl2N2O
Molecular Weight413.35 g/mol
Exact Mass412.11
IUPAC Name2-[2-(2,6-dichloroanilino)phenyl]-N-(2,6-dimethylphenyl)propanamide
SMILESCc1cccc(C)c1NC(=O)C(C)c1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C23H22Cl2N2O/c1-14-8-6-9-15(2)21(14)27-23(28)16(3)17-10-4-5-13-20(17)26-22-18(24)11-7-12-19(22)25/h4-13,16,26H,1-3H3,(H,27,28)
InChIKeyBHTKZBRKFXIRTQ-UHFFFAOYSA-N
XLogP7.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.35
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]-N-(2,6-dimethylphenyl)propanamide?
The IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]-N-(2,6-dimethylphenyl)propanamide (CID 45269044) is 2-[2-(2,6-dichloroanilino)phenyl]-N-(2,6-dimethylphenyl)propanamide.
What is the SMILES notation for 2-[2-(2,6-dichloroanilino)phenyl]-N-(2,6-dimethylphenyl)propanamide?
The canonical SMILES for 2-[2-(2,6-dichloroanilino)phenyl]-N-(2,6-dimethylphenyl)propanamide is Cc1cccc(C)c1NC(=O)C(C)c1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(2,6-dichloroanilino)phenyl]-N-(2,6-dimethylphenyl)propanamide?
The InChIKey is BHTKZBRKFXIRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O/c1-14-8-6-9-15(2)21(14)27-23(28)16(3)17-10-4-5-13-20(17)26-22-18(24)11-7-12-19(22)25/h4-13,16,26H,1-3H3,(H,27,28).
What are the key properties of 2-[2-(2,6-dichloroanilino)phenyl]-N-(2,6-dimethylphenyl)propanamide?
2-[2-(2,6-dichloroanilino)phenyl]-N-(2,6-dimethylphenyl)propanamide has a molecular weight of 413.35 g/mol, XLogP of 7.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichloroanilino)phenyl]-N-(2,6-dimethylphenyl)propanamide is sourced from PubChem (CID 45269044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).