4-bromo-N-(2-phenylpropan-2-yl)benzamide

C16H16BrNO — CID 47444769

IUPAC4-bromo-N-(2-phenylpropan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H16BrNO/c1-16(2,13-6-4-3-5-7-13)18-15(19)12-8-10-14(17)11-9-12/h3-11H,1-2H3,(H,18,19)
InChIKeyOWYKYIKKXFOHLL-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.11
Rot. Bonds3

About 4-bromo-N-(2-phenylpropan-2-yl)benzamide

4-bromo-N-(2-phenylpropan-2-yl)benzamide (PubChem CID 47444769) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 4-bromo-N-(2-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-phenylpropan-2-yl)benzamide
PubChem CID47444769
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name4-bromo-N-(2-phenylpropan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C16H16BrNO/c1-16(2,13-6-4-3-5-7-13)18-15(19)12-8-10-14(17)11-9-12/h3-11H,1-2H3,(H,18,19)
InChIKeyOWYKYIKKXFOHLL-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749
3-bromo-N-[2-(4-bromophenyl)propan-2-yl]-4-fluorobenzamide
CID 107951863
4-(dimethylsulfamoyl)-N-(2-phenylpropan-2-yl)benzamide
CID 113091738
N-[2-(4-bromophenyl)propan-2-yl]-3-(chloromethyl)benzamide
CID 43696309
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022
4-(3-methylbut-1-enyl)-N-(2-phenylpropan-2-yl)benzamide
CID 72568586
N-(2-phenylpropan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 175122328
2-phenylpropan-2-ylcarbamic acid
CID 23445609
4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757
N-(2-phenylpropan-2-yl)pyridine-3-carboxamide
CID 47444755
N-(2-phenylpropan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 113091743
N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
CID 103515044

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-phenylpropan-2-yl)benzamide?
The IUPAC name of 4-bromo-N-(2-phenylpropan-2-yl)benzamide (CID 47444769) is 4-bromo-N-(2-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-phenylpropan-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-(2-phenylpropan-2-yl)benzamide is CC(C)(NC(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 4-bromo-N-(2-phenylpropan-2-yl)benzamide?
The InChIKey is OWYKYIKKXFOHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-16(2,13-6-4-3-5-7-13)18-15(19)12-8-10-14(17)11-9-12/h3-11H,1-2H3,(H,18,19).
What are the key properties of 4-bromo-N-(2-phenylpropan-2-yl)benzamide?
4-bromo-N-(2-phenylpropan-2-yl)benzamide has a molecular weight of 318.21 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 47444769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).