2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide

C19H23BrN2O — CID 86877152

IUPAC2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide
SMILESCN(C)c1ccc(CCCNC(=O)Cc2cccc(Br)c2)cc1
InChIInChI=1S/C19H23BrN2O/c1-22(2)18-10-8-15(9-11-18)6-4-12-21-19(23)14-16-5-3-7-17(20)13-16/h3,5,7-11,13H,4,6,12,14H2,1-2H3,(H,21,23)
InChIKeyKJHCHTNPKVDBGE-UHFFFAOYSA-N
MW375.31 g/mol
LogP3.81
Rot. Bonds7

About 2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide

2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide (PubChem CID 86877152) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide
PubChem CID86877152
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide
SMILESCN(C)c1ccc(CCCNC(=O)Cc2cccc(Br)c2)cc1
InChIInChI=1S/C19H23BrN2O/c1-22(2)18-10-8-15(9-11-18)6-4-12-21-19(23)14-16-5-3-7-17(20)13-16/h3,5,7-11,13H,4,6,12,14H2,1-2H3,(H,21,23)
InChIKeyKJHCHTNPKVDBGE-UHFFFAOYSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 53.81
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-(3-bromophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99609358
2-(3-bromophenyl)-N-(5-chloropentyl)acetamide
CID 107320862
N-(4-bromobutyl)-2-(3-bromophenyl)acetamide
CID 106845789
2-(3-bromophenyl)-N-propylacetamide
CID 4084138
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113098238
2-bromo-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889860
2-(3-bromophenyl)-N-[2-(butylamino)-2-oxoethyl]acetamide
CID 112990659
N-[2-[3-[4-(dimethylamino)phenyl]propylamino]-2-oxoethyl]benzamide
CID 46424122
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
3-chloro-N-[3-[4-(dimethylamino)phenyl]propyl]benzamide
CID 16889854
2-(3-bromophenyl)-N-(3-cyanopropyl)acetamide
CID 55208949
5-[[2-(3-bromophenyl)acetyl]amino]-2-methylpentanoic acid
CID 113440578

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide (CID 86877152) is 2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide is CN(C)c1ccc(CCCNC(=O)Cc2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide?
The InChIKey is KJHCHTNPKVDBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-22(2)18-10-8-15(9-11-18)6-4-12-21-19(23)14-16-5-3-7-17(20)13-16/h3,5,7-11,13H,4,6,12,14H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide?
2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide has a molecular weight of 375.31 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[3-[4-(dimethylamino)phenyl]propyl]acetamide is sourced from PubChem (CID 86877152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).