3-(4-bromo-2,3-dichloroanilino)butan-2-ol

C10H12BrCl2NO — CID 107788804

IUPAC3-(4-bromo-2,3-dichloroanilino)butan-2-ol
SMILESCC(O)C(C)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C10H12BrCl2NO/c1-5(6(2)15)14-8-4-3-7(11)9(12)10(8)13/h3-6,14-15H,1-2H3
InChIKeyUHQANXKHLBKMEA-UHFFFAOYSA-N
MW313.02 g/mol
LogP3.94
Rot. Bonds3

About 3-(4-bromo-2,3-dichloroanilino)butan-2-ol

3-(4-bromo-2,3-dichloroanilino)butan-2-ol (PubChem CID 107788804) has the molecular formula C10H12BrCl2NO and a molecular weight of 313.02 g/mol. Its IUPAC name is 3-(4-bromo-2,3-dichloroanilino)butan-2-ol.

Molecular Properties

Compound Name3-(4-bromo-2,3-dichloroanilino)butan-2-ol
PubChem CID107788804
Molecular FormulaC10H12BrCl2NO
Molecular Weight313.02 g/mol
Exact Mass310.95
IUPAC Name3-(4-bromo-2,3-dichloroanilino)butan-2-ol
SMILESCC(O)C(C)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C10H12BrCl2NO/c1-5(6(2)15)14-8-4-3-7(11)9(12)10(8)13/h3-6,14-15H,1-2H3
InChIKeyUHQANXKHLBKMEA-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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Related Compounds

4-bromo-2,3-dichloro-N-pentan-2-ylaniline
CID 107787687
4-bromo-N-but-3-en-2-yl-2,3-dichloroaniline
CID 107908489
4-bromo-2,3-dichloro-N-pentan-3-ylaniline
CID 107788059
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
4-(4-bromo-2,3-dichloroanilino)pentanoic acid
CID 114001638
3-(4-bromo-2,3-dichloroanilino)-2-methylpropan-1-ol
CID 104589244
4-bromo-2,3-dichloro-N-[1-(3,5-difluorophenyl)ethyl]aniline
CID 107787506
4-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-2,3-dichloroaniline
CID 114001608
4-bromo-2,3-dichloro-N-octan-2-ylaniline
CID 107787672
3-bromo-4-(3-hydroxybutan-2-ylamino)benzonitrile
CID 107789465
2-[1-(4-bromo-2,3-dichloroanilino)ethyl]-5-fluorophenol
CID 107787782
4-bromo-2,3-dichloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 107788093

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,3-dichloroanilino)butan-2-ol?
The IUPAC name of 3-(4-bromo-2,3-dichloroanilino)butan-2-ol (CID 107788804) is 3-(4-bromo-2,3-dichloroanilino)butan-2-ol.
What is the SMILES notation for 3-(4-bromo-2,3-dichloroanilino)butan-2-ol?
The canonical SMILES for 3-(4-bromo-2,3-dichloroanilino)butan-2-ol is CC(O)C(C)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 3-(4-bromo-2,3-dichloroanilino)butan-2-ol?
The InChIKey is UHQANXKHLBKMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrCl2NO/c1-5(6(2)15)14-8-4-3-7(11)9(12)10(8)13/h3-6,14-15H,1-2H3.
What are the key properties of 3-(4-bromo-2,3-dichloroanilino)butan-2-ol?
3-(4-bromo-2,3-dichloroanilino)butan-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 3-(4-bromo-2,3-dichloroanilino)butan-2-ol is sourced from PubChem (CID 107788804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).