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

C20H23BrN2O2 — CID 4587212

IUPAC4-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]-4-oxobutanamide
SMILESCN(C)C(CNC(=O)CCC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C20H23BrN2O2/c1-23(2)18(15-6-4-3-5-7-15)14-22-20(25)13-12-19(24)16-8-10-17(21)11-9-16/h3-11,18H,12-14H2,1-2H3,(H,22,25)
InChIKeyIMDLDGDMEZFVQU-UHFFFAOYSA-N
MW403.32 g/mol
LogP3.83
Rot. Bonds8

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

4-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]-4-oxobutanamide (PubChem CID 4587212) has the molecular formula C20H23BrN2O2 and a molecular weight of 403.32 g/mol. Its IUPAC name is 4-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]-4-oxobutanamide
PubChem CID4587212
Molecular FormulaC20H23BrN2O2
Molecular Weight403.32 g/mol
Exact Mass402.09
IUPAC Name4-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]-4-oxobutanamide
SMILESCN(C)C(CNC(=O)CCC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C20H23BrN2O2/c1-23(2)18(15-6-4-3-5-7-15)14-22-20(25)13-12-19(24)16-8-10-17(21)11-9-16/h3-11,18H,12-14H2,1-2H3,(H,22,25)
InChIKeyIMDLDGDMEZFVQU-UHFFFAOYSA-N
XLogP3.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]-4-oxobutanamide?
The IUPAC name of 4-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]-4-oxobutanamide (CID 4587212) is 4-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]-4-oxobutanamide?
The canonical SMILES for 4-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]-4-oxobutanamide is CN(C)C(CNC(=O)CCC(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 4-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]-4-oxobutanamide?
The InChIKey is IMDLDGDMEZFVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O2/c1-23(2)18(15-6-4-3-5-7-15)14-22-20(25)13-12-19(24)16-8-10-17(21)11-9-16/h3-11,18H,12-14H2,1-2H3,(H,22,25).
What are the key properties of 4-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]-4-oxobutanamide?
4-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]-4-oxobutanamide has a molecular weight of 403.32 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-N-[2-(dimethylamino)-2-phenylethyl]-4-oxobutanamide is sourced from PubChem (CID 4587212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).