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

C15H14Cl2N2O — CID 45269050

IUPAC2-[2-(2,6-dichloroanilino)phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-9(15(18)20)10-5-2-3-8-13(10)19-14-11(16)6-4-7-12(14)17/h2-9,19H,1H3,(H2,18,20)
InChIKeyRJQUTNJNKSGMHW-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.33
Rot. Bonds4

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

2-[2-(2,6-dichloroanilino)phenyl]propanamide (PubChem CID 45269050) has the molecular formula C15H14Cl2N2O and a molecular weight of 309.20 g/mol. Its IUPAC name is 2-[2-(2,6-dichloroanilino)phenyl]propanamide.

Molecular Properties

Compound Name2-[2-(2,6-dichloroanilino)phenyl]propanamide
PubChem CID45269050
Molecular FormulaC15H14Cl2N2O
Molecular Weight309.20 g/mol
Exact Mass308.05
IUPAC Name2-[2-(2,6-dichloroanilino)phenyl]propanamide
SMILESCC(C(N)=O)c1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H14Cl2N2O/c1-9(15(18)20)10-5-2-3-8-13(10)19-14-11(16)6-4-7-12(14)17/h2-9,19H,1H3,(H2,18,20)
InChIKeyRJQUTNJNKSGMHW-UHFFFAOYSA-N
XLogP4.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.33
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]propanamide?
The IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]propanamide (CID 45269050) is 2-[2-(2,6-dichloroanilino)phenyl]propanamide.
What is the SMILES notation for 2-[2-(2,6-dichloroanilino)phenyl]propanamide?
The canonical SMILES for 2-[2-(2,6-dichloroanilino)phenyl]propanamide is CC(C(N)=O)c1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(2,6-dichloroanilino)phenyl]propanamide?
The InChIKey is RJQUTNJNKSGMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O/c1-9(15(18)20)10-5-2-3-8-13(10)19-14-11(16)6-4-7-12(14)17/h2-9,19H,1H3,(H2,18,20).
What are the key properties of 2-[2-(2,6-dichloroanilino)phenyl]propanamide?
2-[2-(2,6-dichloroanilino)phenyl]propanamide has a molecular weight of 309.20 g/mol, XLogP of 4.33, 4 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]propanamide is sourced from PubChem (CID 45269050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).