2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide

C18H20BrNO — CID 100702626

IUPAC2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
SMILESCC(C)(Cc1ccccc1)NC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C18H20BrNO/c1-18(2,13-14-7-4-3-5-8-14)20-17(21)12-15-9-6-10-16(19)11-15/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyWPOIKCCOTQHWPX-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.13
Rot. Bonds5

About 2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide

2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide (PubChem CID 100702626) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
PubChem CID100702626
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
SMILESCC(C)(Cc1ccccc1)NC(=O)Cc1cccc(Br)c1
InChIInChI=1S/C18H20BrNO/c1-18(2,13-14-7-4-3-5-8-14)20-17(21)12-15-9-6-10-16(19)11-15/h3-11H,12-13H2,1-2H3,(H,20,21)
InChIKeyWPOIKCCOTQHWPX-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[1-(3-bromophenyl)-2-methylpropan-2-yl]-N-ethylpropanediamide
CID 75500743
2-(3-bromophenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 114008475
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
2-(3-bromophenyl)-N-(2-methyl-2-phenylpropyl)acetamide
CID 113090289
2-(3-bromophenyl)-N-(3,5-dimethylphenyl)acetamide
CID 100697605
N-[3-(bromomethyl)pentan-3-yl]-2-(3-bromophenyl)acetamide
CID 113275793
N-[1-bromo-2-(bromomethyl)butan-2-yl]-2-(3-bromophenyl)acetamide
CID 114010943
3-[3-(3-bromophenyl)propanoylamino]-3-methylbutanoic acid
CID 64671922
N-(2-amino-2-methylpropyl)-2-(3-bromophenyl)acetamide
CID 81483325
N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide
CID 114307896
2-(4-chloro-2-fluorophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 100626606
2-methoxy-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 84570069

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide (CID 100702626) is 2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide is CC(C)(Cc1ccccc1)NC(=O)Cc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
The InChIKey is WPOIKCCOTQHWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-18(2,13-14-7-4-3-5-8-14)20-17(21)12-15-9-6-10-16(19)11-15/h3-11H,12-13H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide?
2-(3-bromophenyl)-N-(2-methyl-1-phenylpropan-2-yl)acetamide has a molecular weight of 346.27 g/mol, XLogP of 4.13, 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-1-phenylpropan-2-yl)acetamide is sourced from PubChem (CID 100702626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).