N-(4-bromo-2-chlorophenyl)-2-methylpropanamide

C10H11BrClNO — CID 2111814

IUPACN-(4-bromo-2-chlorophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C10H11BrClNO/c1-6(2)10(14)13-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3,(H,13,14)
InChIKeyUQCUWRIXNCHDGB-UHFFFAOYSA-N
MW276.56 g/mol
LogP3.70
Rot. Bonds2

About N-(4-bromo-2-chlorophenyl)-2-methylpropanamide

N-(4-bromo-2-chlorophenyl)-2-methylpropanamide (PubChem CID 2111814) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-methylpropanamide
PubChem CID2111814
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C10H11BrClNO/c1-6(2)10(14)13-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3,(H,13,14)
InChIKeyUQCUWRIXNCHDGB-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-methylpropanamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-methylpropanamide (CID 2111814) is N-(4-bromo-2-chlorophenyl)-2-methylpropanamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-methylpropanamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-methylpropanamide?
The InChIKey is UQCUWRIXNCHDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-6(2)10(14)13-9-4-3-7(11)5-8(9)12/h3-6H,1-2H3,(H,13,14).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-methylpropanamide?
N-(4-bromo-2-chlorophenyl)-2-methylpropanamide has a molecular weight of 276.56 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-methylpropanamide is sourced from PubChem (CID 2111814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).