1-(4-bromo-2,3-dichloroanilino)-2-methylpropan-2-ol

C10H12BrCl2NO — CID 107788903

IUPAC1-(4-bromo-2,3-dichloroanilino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C10H12BrCl2NO/c1-10(2,15)5-14-7-4-3-6(11)8(12)9(7)13/h3-4,14-15H,5H2,1-2H3
InChIKeyGNGVDXDCBMKWHH-UHFFFAOYSA-N
MW313.02 g/mol
LogP3.94
Rot. Bonds3

About 1-(4-bromo-2,3-dichloroanilino)-2-methylpropan-2-ol

1-(4-bromo-2,3-dichloroanilino)-2-methylpropan-2-ol (PubChem CID 107788903) has the molecular formula C10H12BrCl2NO and a molecular weight of 313.02 g/mol. Its IUPAC name is 1-(4-bromo-2,3-dichloroanilino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-2,3-dichloroanilino)-2-methylpropan-2-ol
PubChem CID107788903
Molecular FormulaC10H12BrCl2NO
Molecular Weight313.02 g/mol
Exact Mass310.95
IUPAC Name1-(4-bromo-2,3-dichloroanilino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C10H12BrCl2NO/c1-10(2,15)5-14-7-4-3-6(11)8(12)9(7)13/h3-4,14-15H,5H2,1-2H3
InChIKeyGNGVDXDCBMKWHH-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.02
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3-dichloroanilino)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-bromo-2,3-dichloroanilino)-2-methylpropan-2-ol (CID 107788903) is 1-(4-bromo-2,3-dichloroanilino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-bromo-2,3-dichloroanilino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-bromo-2,3-dichloroanilino)-2-methylpropan-2-ol is CC(C)(O)CNc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 1-(4-bromo-2,3-dichloroanilino)-2-methylpropan-2-ol?
The InChIKey is GNGVDXDCBMKWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl2NO/c1-10(2,15)5-14-7-4-3-6(11)8(12)9(7)13/h3-4,14-15H,5H2,1-2H3.
What are the key properties of 1-(4-bromo-2,3-dichloroanilino)-2-methylpropan-2-ol?
1-(4-bromo-2,3-dichloroanilino)-2-methylpropan-2-ol has a molecular weight of 313.02 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,3-dichloroanilino)-2-methylpropan-2-ol is sourced from PubChem (CID 107788903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).