N-(4-bromophenyl)-2,2-dimethylpropanamide

C11H14BrNO — CID 520094

IUPACN-(4-bromophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChIKeyZXYSRVSPDUSHBX-UHFFFAOYSA-N
MW256.14 g/mol
LogP3.43
Rot. Bonds1

About N-(4-bromophenyl)-2,2-dimethylpropanamide

N-(4-bromophenyl)-2,2-dimethylpropanamide (PubChem CID 520094) has the molecular formula C11H14BrNO and a molecular weight of 256.14 g/mol. Its IUPAC name is N-(4-bromophenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2,2-dimethylpropanamide
PubChem CID520094
Molecular FormulaC11H14BrNO
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC NameN-(4-bromophenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14)
InChIKeyZXYSRVSPDUSHBX-UHFFFAOYSA-N
XLogP3.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-bromophenyl)-2,2-dimethylpropanamide (CID 520094) is N-(4-bromophenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-bromophenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-bromophenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2,2-dimethylpropanamide?
The InChIKey is ZXYSRVSPDUSHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9/h4-7H,1-3H3,(H,13,14).
What are the key properties of N-(4-bromophenyl)-2,2-dimethylpropanamide?
N-(4-bromophenyl)-2,2-dimethylpropanamide has a molecular weight of 256.14 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 520094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).