2-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide

C18H21BrN2O — CID 4587627

IUPAC2-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
SMILESCN(C)C(CNC(=O)Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H21BrN2O/c1-21(2)17(15-6-4-3-5-7-15)13-20-18(22)12-14-8-10-16(19)11-9-14/h3-11,17H,12-13H2,1-2H3,(H,20,22)
InChIKeyFHCPLXLTFFPFFI-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.41
Rot. Bonds6

About 2-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide

2-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide (PubChem CID 4587627) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
PubChem CID4587627
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name2-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
SMILESCN(C)C(CNC(=O)Cc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C18H21BrN2O/c1-21(2)17(15-6-4-3-5-7-15)13-20-18(22)12-14-8-10-16(19)11-9-14/h3-11,17H,12-13H2,1-2H3,(H,20,22)
InChIKeyFHCPLXLTFFPFFI-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide (CID 4587627) is 2-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide is CN(C)C(CNC(=O)Cc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
The InChIKey is FHCPLXLTFFPFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-21(2)17(15-6-4-3-5-7-15)13-20-18(22)12-14-8-10-16(19)11-9-14/h3-11,17H,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide?
2-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide has a molecular weight of 361.28 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide is sourced from PubChem (CID 4587627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).