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

C17H19BrN2O — CID 16889430

IUPAC2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
SMILESCN(C)c1ccc(CCNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C17H19BrN2O/c1-20(2)14-9-7-13(8-10-14)11-12-19-17(21)15-5-3-4-6-16(15)18/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyDSTIZYFNKTUHSV-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.49
Rot. Bonds5

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

2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide (PubChem CID 16889430) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
PubChem CID16889430
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide
SMILESCN(C)c1ccc(CCNC(=O)c2ccccc2Br)cc1
InChIInChI=1S/C17H19BrN2O/c1-20(2)14-9-7-13(8-10-14)11-12-19-17(21)15-5-3-4-6-16(15)18/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyDSTIZYFNKTUHSV-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889860
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-nitrobenzamide
CID 16889417
2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62315224
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405
2-bromo-N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 18104952
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
N-[2-[acetyl(2-phenylethyl)amino]ethyl]-2-bromobenzamide
CID 113055545
2-bromo-N-[2-(3-phenylpropanoylamino)ethyl]benzamide
CID 108539128
2-[4-(dimethylamino)phenyl]ethylurea;hydrochloride
CID 3032080
2-bromo-N-(2-chloroethyl)benzamide
CID 12793324
2-bromo-N-[[4-(dimethylcarbamoyl)phenyl]methyl]benzamide
CID 134039227

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide (CID 16889430) is 2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide is CN(C)c1ccc(CCNC(=O)c2ccccc2Br)cc1.
What is the InChIKey of 2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide?
The InChIKey is DSTIZYFNKTUHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-20(2)14-9-7-13(8-10-14)11-12-19-17(21)15-5-3-4-6-16(15)18/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of 2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide?
2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide has a molecular weight of 347.26 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-[4-(dimethylamino)phenyl]ethyl]benzamide is sourced from PubChem (CID 16889430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).