N-(5-bromo-3-chloro-4-cyano-2-methylphenyl)-2-hydroxy-2-methylpropanamide

C12H12BrClN2O2 — CID 166521800

IUPACN-(5-bromo-3-chloro-4-cyano-2-methylphenyl)-2-hydroxy-2-methylpropanamide
SMILESCc1c(NC(=O)C(C)(C)O)cc(Br)c(C#N)c1Cl
InChIInChI=1S/C12H12BrClN2O2/c1-6-9(16-11(17)12(2,3)18)4-8(13)7(5-15)10(6)14/h4,18H,1-3H3,(H,16,17)
InChIKeyIDECPIPYNKVSDJ-UHFFFAOYSA-N
MW331.60 g/mol
LogP2.99
Rot. Bonds2

About N-(5-bromo-3-chloro-4-cyano-2-methylphenyl)-2-hydroxy-2-methylpropanamide

N-(5-bromo-3-chloro-4-cyano-2-methylphenyl)-2-hydroxy-2-methylpropanamide (PubChem CID 166521800) has the molecular formula C12H12BrClN2O2 and a molecular weight of 331.60 g/mol. Its IUPAC name is N-(5-bromo-3-chloro-4-cyano-2-methylphenyl)-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-bromo-3-chloro-4-cyano-2-methylphenyl)-2-hydroxy-2-methylpropanamide
PubChem CID166521800
Molecular FormulaC12H12BrClN2O2
Molecular Weight331.60 g/mol
Exact Mass329.98
IUPAC NameN-(5-bromo-3-chloro-4-cyano-2-methylphenyl)-2-hydroxy-2-methylpropanamide
SMILESCc1c(NC(=O)C(C)(C)O)cc(Br)c(C#N)c1Cl
InChIInChI=1S/C12H12BrClN2O2/c1-6-9(16-11(17)12(2,3)18)4-8(13)7(5-15)10(6)14/h4,18H,1-3H3,(H,16,17)
InChIKeyIDECPIPYNKVSDJ-UHFFFAOYSA-N
XLogP2.99
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-chloro-4-cyano-2-methylphenyl)-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-(5-bromo-3-chloro-4-cyano-2-methylphenyl)-2-hydroxy-2-methylpropanamide (CID 166521800) is N-(5-bromo-3-chloro-4-cyano-2-methylphenyl)-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-(5-bromo-3-chloro-4-cyano-2-methylphenyl)-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-(5-bromo-3-chloro-4-cyano-2-methylphenyl)-2-hydroxy-2-methylpropanamide is Cc1c(NC(=O)C(C)(C)O)cc(Br)c(C#N)c1Cl.
What is the InChIKey of N-(5-bromo-3-chloro-4-cyano-2-methylphenyl)-2-hydroxy-2-methylpropanamide?
The InChIKey is IDECPIPYNKVSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O2/c1-6-9(16-11(17)12(2,3)18)4-8(13)7(5-15)10(6)14/h4,18H,1-3H3,(H,16,17).
What are the key properties of N-(5-bromo-3-chloro-4-cyano-2-methylphenyl)-2-hydroxy-2-methylpropanamide?
N-(5-bromo-3-chloro-4-cyano-2-methylphenyl)-2-hydroxy-2-methylpropanamide has a molecular weight of 331.60 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-chloro-4-cyano-2-methylphenyl)-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 166521800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).