2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide

C12H16BrNO — CID 78843902

IUPAC2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c1-9(2)14(3)12(15)8-10-4-6-11(13)7-5-10/h4-7,9H,8H2,1-3H3
InChIKeyRCHUTKIBTFSXSU-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.86
Rot. Bonds3

About 2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide

2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide (PubChem CID 78843902) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide
PubChem CID78843902
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C12H16BrNO/c1-9(2)14(3)12(15)8-10-4-6-11(13)7-5-10/h4-7,9H,8H2,1-3H3
InChIKeyRCHUTKIBTFSXSU-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 42919756
N-methyl-N-propan-2-yl-2-(4-pyridin-2-ylphenyl)acetamide
CID 138548882
2-[[2-(4-bromophenyl)acetyl]-butan-2-ylamino]acetic acid
CID 54925961
2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 66816834
2-(4-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115869468
lithium;2-(4-bromophenyl)acetic acid;carbanide
CID 161336819
2-[[2-(4-bromophenyl)acetyl]-ethylamino]acetic acid
CID 54901024
2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115765069
N-[(2R)-5-(4-bromophenyl)-4-iminopentan-2-yl]-N-methylacetamide
CID 174564661
N-[(4-bromophenyl)methyl]-2-[4-(difluoromethoxy)phenyl]-N-methylacetamide
CID 78807837
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 32758175

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide (CID 78843902) is 2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide?
The InChIKey is RCHUTKIBTFSXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c1-9(2)14(3)12(15)8-10-4-6-11(13)7-5-10/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide?
2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide has a molecular weight of 270.17 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 78843902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).