N-(3-bromo-5-phenylphenyl)-2,2-dimethylpropanamide

C17H18BrNO — CID 102284842

IUPACN-(3-bromo-5-phenylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(Br)cc(-c2ccccc2)c1
InChIInChI=1S/C17H18BrNO/c1-17(2,3)16(20)19-15-10-13(9-14(18)11-15)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20)
InChIKeyJHNCPDLPBFCHQJ-UHFFFAOYSA-N
MW332.24 g/mol
LogP5.10
Rot. Bonds2

About N-(3-bromo-5-phenylphenyl)-2,2-dimethylpropanamide

N-(3-bromo-5-phenylphenyl)-2,2-dimethylpropanamide (PubChem CID 102284842) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is N-(3-bromo-5-phenylphenyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-5-phenylphenyl)-2,2-dimethylpropanamide
PubChem CID102284842
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC NameN-(3-bromo-5-phenylphenyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cc(Br)cc(-c2ccccc2)c1
InChIInChI=1S/C17H18BrNO/c1-17(2,3)16(20)19-15-10-13(9-14(18)11-15)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20)
InChIKeyJHNCPDLPBFCHQJ-UHFFFAOYSA-N
XLogP5.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.24
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-phenylphenyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(3-bromo-5-phenylphenyl)-2,2-dimethylpropanamide (CID 102284842) is N-(3-bromo-5-phenylphenyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(3-bromo-5-phenylphenyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(3-bromo-5-phenylphenyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cc(Br)cc(-c2ccccc2)c1.
What is the InChIKey of N-(3-bromo-5-phenylphenyl)-2,2-dimethylpropanamide?
The InChIKey is JHNCPDLPBFCHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-17(2,3)16(20)19-15-10-13(9-14(18)11-15)12-7-5-4-6-8-12/h4-11H,1-3H3,(H,19,20).
What are the key properties of N-(3-bromo-5-phenylphenyl)-2,2-dimethylpropanamide?
N-(3-bromo-5-phenylphenyl)-2,2-dimethylpropanamide has a molecular weight of 332.24 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-phenylphenyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 102284842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).