2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide

C18H20BrNO — CID 113090289

IUPAC2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide
SMILESCC(C)(CNC(=O)Cc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C18H20BrNO/c1-18(2,15-8-4-3-5-9-15)13-20-17(21)12-14-7-6-10-16(19)11-14/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyVYVDDZFULUDLPU-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.09
Rot. Bonds5

About 2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide

2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide (PubChem CID 113090289) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide
PubChem CID113090289
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide
SMILESCC(C)(CNC(=O)Cc1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C18H20BrNO/c1-18(2,15-8-4-3-5-9-15)13-20-17(21)12-14-7-6-10-16(19)11-14/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyVYVDDZFULUDLPU-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-N-[2-(4-chlorophenyl)-2-methylpropyl]acetamide
CID 113090395
N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
2-(3-bromophenyl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66169892
2-(3-bromophenyl)-N-[2-(1H-indol-3-yl)-2-methylpropyl]acetamide
CID 113084108
1-(3-bromophenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213313
2-(3-bromophenyl)-N-[2-(chloromethyl)-2-ethylbutyl]acetamide
CID 114164473
N-[2-(3-bromophenyl)-2-methylpropyl]-3-chloropropanamide
CID 115162745
2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100702626
N-[2-(3-bromophenyl)-2-methylpropyl]-2-cyanoacetamide
CID 115173449
2-hydroxy-N-(2-methyl-2-phenylpropyl)acetamide
CID 115140248
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
2-(3-bromophenyl)-N-propylacetamide
CID 4084138

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide (CID 113090289) is 2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide is CC(C)(CNC(=O)Cc1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide?
The InChIKey is VYVDDZFULUDLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-18(2,15-8-4-3-5-9-15)13-20-17(21)12-14-7-6-10-16(19)11-14/h3-11H,12-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide?
2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide has a molecular weight of 346.27 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide is sourced from PubChem (CID 113090289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).