4-chloro-N-(2,4-dichloro-3-methylphenyl)butanamide

C11H12Cl3NO — CID 18923486

IUPAC4-chloro-N-(2,4-dichloro-3-methylphenyl)butanamide
SMILESCc1c(Cl)ccc(NC(=O)CCCCl)c1Cl
InChIInChI=1S/C11H12Cl3NO/c1-7-8(13)4-5-9(11(7)14)15-10(16)3-2-6-12/h4-5H,2-3,6H2,1H3,(H,15,16)
InChIKeyQVBHMYTUDUEPQA-UHFFFAOYSA-N
MW280.58 g/mol
LogP4.26
Rot. Bonds4

About 4-chloro-N-(2,4-dichloro-3-methylphenyl)butanamide

4-chloro-N-(2,4-dichloro-3-methylphenyl)butanamide (PubChem CID 18923486) has the molecular formula C11H12Cl3NO and a molecular weight of 280.58 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dichloro-3-methylphenyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-dichloro-3-methylphenyl)butanamide
PubChem CID18923486
Molecular FormulaC11H12Cl3NO
Molecular Weight280.58 g/mol
Exact Mass279.00
IUPAC Name4-chloro-N-(2,4-dichloro-3-methylphenyl)butanamide
SMILESCc1c(Cl)ccc(NC(=O)CCCCl)c1Cl
InChIInChI=1S/C11H12Cl3NO/c1-7-8(13)4-5-9(11(7)14)15-10(16)3-2-6-12/h4-5H,2-3,6H2,1H3,(H,15,16)
InChIKeyQVBHMYTUDUEPQA-UHFFFAOYSA-N
XLogP4.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.58
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dichloro-3-methylphenyl)butanamide?
The IUPAC name of 4-chloro-N-(2,4-dichloro-3-methylphenyl)butanamide (CID 18923486) is 4-chloro-N-(2,4-dichloro-3-methylphenyl)butanamide.
What is the SMILES notation for 4-chloro-N-(2,4-dichloro-3-methylphenyl)butanamide?
The canonical SMILES for 4-chloro-N-(2,4-dichloro-3-methylphenyl)butanamide is Cc1c(Cl)ccc(NC(=O)CCCCl)c1Cl.
What is the InChIKey of 4-chloro-N-(2,4-dichloro-3-methylphenyl)butanamide?
The InChIKey is QVBHMYTUDUEPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO/c1-7-8(13)4-5-9(11(7)14)15-10(16)3-2-6-12/h4-5H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 4-chloro-N-(2,4-dichloro-3-methylphenyl)butanamide?
4-chloro-N-(2,4-dichloro-3-methylphenyl)butanamide has a molecular weight of 280.58 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dichloro-3-methylphenyl)butanamide is sourced from PubChem (CID 18923486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).