2-bromo-N-[3-(2,4,6-trimethylanilino)propyl]benzamide

C19H23BrN2O — CID 11047025

IUPAC2-bromo-N-[3-(2,4,6-trimethylanilino)propyl]benzamide
SMILESCc1cc(C)c(NCCCNC(=O)c2ccccc2Br)c(C)c1
InChIInChI=1S/C19H23BrN2O/c1-13-11-14(2)18(15(3)12-13)21-9-6-10-22-19(23)16-7-4-5-8-17(16)20/h4-5,7-8,11-12,21H,6,9-10H2,1-3H3,(H,22,23)
InChIKeyRJRUXQWKNUPMMV-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.61
Rot. Bonds6

About 2-bromo-N-[3-(2,4,6-trimethylanilino)propyl]benzamide

2-bromo-N-[3-(2,4,6-trimethylanilino)propyl]benzamide (PubChem CID 11047025) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 2-bromo-N-[3-(2,4,6-trimethylanilino)propyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(2,4,6-trimethylanilino)propyl]benzamide
PubChem CID11047025
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name2-bromo-N-[3-(2,4,6-trimethylanilino)propyl]benzamide
SMILESCc1cc(C)c(NCCCNC(=O)c2ccccc2Br)c(C)c1
InChIInChI=1S/C19H23BrN2O/c1-13-11-14(2)18(15(3)12-13)21-9-6-10-22-19(23)16-7-4-5-8-17(16)20/h4-5,7-8,11-12,21H,6,9-10H2,1-3H3,(H,22,23)
InChIKeyRJRUXQWKNUPMMV-UHFFFAOYSA-N
XLogP4.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 23573608
2-bromo-N-(3-methylsulfinylpropyl)benzamide
CID 115619981
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 731571
2-bromo-N-(4-bromopentyl)benzamide
CID 106131142
2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62315224
2-bromo-N-[3-[(3-cyano-7,8-dimethylquinolin-2-yl)amino]propyl]benzamide
CID 44754481
2-bromo-N-[3-(4-nitroanilino)propyl]benzamide
CID 2883203
8-[(2-bromobenzoyl)amino]octanoic acid
CID 10807216
2-bromo-N-(2-chloroethyl)benzamide
CID 12793324
2-bromo-N-[2-[(3-cyano-6,8-dimethylquinolin-2-yl)amino]ethyl]benzamide
CID 44754479
2-bromo-N-(2-methylsulfanylethyl)benzamide
CID 51889373
2-bromo-N-[2-(3,3-dimethylbutanoylamino)ethyl]benzamide
CID 108571210

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(2,4,6-trimethylanilino)propyl]benzamide?
The IUPAC name of 2-bromo-N-[3-(2,4,6-trimethylanilino)propyl]benzamide (CID 11047025) is 2-bromo-N-[3-(2,4,6-trimethylanilino)propyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-(2,4,6-trimethylanilino)propyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-(2,4,6-trimethylanilino)propyl]benzamide is Cc1cc(C)c(NCCCNC(=O)c2ccccc2Br)c(C)c1.
What is the InChIKey of 2-bromo-N-[3-(2,4,6-trimethylanilino)propyl]benzamide?
The InChIKey is RJRUXQWKNUPMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-13-11-14(2)18(15(3)12-13)21-9-6-10-22-19(23)16-7-4-5-8-17(16)20/h4-5,7-8,11-12,21H,6,9-10H2,1-3H3,(H,22,23).
What are the key properties of 2-bromo-N-[3-(2,4,6-trimethylanilino)propyl]benzamide?
2-bromo-N-[3-(2,4,6-trimethylanilino)propyl]benzamide has a molecular weight of 375.31 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(2,4,6-trimethylanilino)propyl]benzamide is sourced from PubChem (CID 11047025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).