4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide

C19H22BrN3O2 — CID 3591440

IUPAC4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide
SMILESCN(C)C(CNC(=O)CNC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H22BrN3O2/c1-23(2)17(14-6-4-3-5-7-14)12-21-18(24)13-22-19(25)15-8-10-16(20)11-9-15/h3-11,17H,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyOEMURBNEOQRKIT-UHFFFAOYSA-N
MW404.31 g/mol
LogP2.60
Rot. Bonds7

About 4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide

4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 3591440) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is 4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide
PubChem CID3591440
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC Name4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide
SMILESCN(C)C(CNC(=O)CNC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C19H22BrN3O2/c1-23(2)17(14-6-4-3-5-7-14)12-21-18(24)13-22-19(25)15-8-10-16(20)11-9-15/h3-11,17H,12-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyOEMURBNEOQRKIT-UHFFFAOYSA-N
XLogP2.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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((R)-1-((S)-2-Benzamido-3-phenylpropanamido)-3-methylbutyl)boronic acid
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3-bromo-N-(4-phenylbutyl)benzamide
CID 2057509
N-[2-(4-bromophenyl)-2-oxoethyl]-2-fluorobenzamide
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CID 670038

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide (CID 3591440) is 4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide is CN(C)C(CNC(=O)CNC(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is OEMURBNEOQRKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-23(2)17(14-6-4-3-5-7-14)12-21-18(24)13-22-19(25)15-8-10-16(20)11-9-15/h3-11,17H,12-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide?
4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 404.31 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 3591440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).