2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide

C18H21BrN2O — CID 16889860

IUPAC2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
SMILESCN(C)c1ccc(CCCNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C18H21BrN2O/c1-21(2)15-11-9-14(10-12-15)6-5-13-20-18(22)16-7-3-4-8-17(16)19/h3-4,7-12H,5-6,13H2,1-2H3,(H,20,22)
InChIKeyQGSKNSVZMHGIQL-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.88
Rot. Bonds6

About 2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide

2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide (PubChem CID 16889860) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
PubChem CID16889860
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
SMILESCN(C)c1ccc(CCCNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C18H21BrN2O/c1-21(2)15-11-9-14(10-12-15)6-5-13-20-18(22)16-7-3-4-8-17(16)19/h3-4,7-12H,5-6,13H2,1-2H3,(H,20,22)
InChIKeyQGSKNSVZMHGIQL-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
CID 16889430
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
N-[3-(1,3-benzodioxol-5-yl)propyl]-2-bromobenzamide
CID 110371214
2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide
CID 86877152
N-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71806116
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide
CID 113055545
N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide
CID 46424122
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
CID 16892017
1-[3-[4-(dimethylamino)phenyl]propyl]-3-(2-fluorophenyl)urea
CID 38887391
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889854
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide
CID 16889417

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide?
The IUPAC name of 2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide (CID 16889860) is 2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide is CN(C)c1ccc(CCCNC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide?
The InChIKey is QGSKNSVZMHGIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-21(2)15-11-9-14(10-12-15)6-5-13-20-18(22)16-7-3-4-8-17(16)19/h3-4,7-12H,5-6,13H2,1-2H3,(H,20,22).
What are the key properties of 2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide?
2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide has a molecular weight of 361.28 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide is sourced from PubChem (CID 16889860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).