(3,5-dichloroanilino) 2-chloro-2-methylpropanoate

C10H10Cl3NO2 — CID 88800627

IUPAC(3,5-dichloroanilino) 2-chloro-2-methylpropanoate
SMILESCC(C)(Cl)C(=O)ONc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl3NO2/c1-10(2,13)9(15)16-14-8-4-6(11)3-7(12)5-8/h3-5,14H,1-2H3
InChIKeyQVMRFTYXKGVMKY-UHFFFAOYSA-N
MW282.55 g/mol
LogP3.88
Rot. Bonds3

About (3,5-dichloroanilino) 2-chloro-2-methylpropanoate

(3,5-dichloroanilino) 2-chloro-2-methylpropanoate (PubChem CID 88800627) has the molecular formula C10H10Cl3NO2 and a molecular weight of 282.55 g/mol. Its IUPAC name is (3,5-dichloroanilino) 2-chloro-2-methylpropanoate.

Molecular Properties

Compound Name(3,5-dichloroanilino) 2-chloro-2-methylpropanoate
PubChem CID88800627
Molecular FormulaC10H10Cl3NO2
Molecular Weight282.55 g/mol
Exact Mass280.98
IUPAC Name(3,5-dichloroanilino) 2-chloro-2-methylpropanoate
SMILESCC(C)(Cl)C(=O)ONc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl3NO2/c1-10(2,13)9(15)16-14-8-4-6(11)3-7(12)5-8/h3-5,14H,1-2H3
InChIKeyQVMRFTYXKGVMKY-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.55
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloroanilino) 2-chloro-2-methylpropanoate?
The IUPAC name of (3,5-dichloroanilino) 2-chloro-2-methylpropanoate (CID 88800627) is (3,5-dichloroanilino) 2-chloro-2-methylpropanoate.
What is the SMILES notation for (3,5-dichloroanilino) 2-chloro-2-methylpropanoate?
The canonical SMILES for (3,5-dichloroanilino) 2-chloro-2-methylpropanoate is CC(C)(Cl)C(=O)ONc1cc(Cl)cc(Cl)c1.
What is the InChIKey of (3,5-dichloroanilino) 2-chloro-2-methylpropanoate?
The InChIKey is QVMRFTYXKGVMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO2/c1-10(2,13)9(15)16-14-8-4-6(11)3-7(12)5-8/h3-5,14H,1-2H3.
What are the key properties of (3,5-dichloroanilino) 2-chloro-2-methylpropanoate?
(3,5-dichloroanilino) 2-chloro-2-methylpropanoate has a molecular weight of 282.55 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloroanilino) 2-chloro-2-methylpropanoate is sourced from PubChem (CID 88800627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).