3-bromo-N-[3-(N-methylanilino)propyl]benzamide

C17H19BrN2O — CID 8802899

IUPAC3-bromo-N-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-20(16-9-3-2-4-10-16)12-6-11-19-17(21)14-7-5-8-15(18)13-14/h2-5,7-10,13H,6,11-12H2,1H3,(H,19,21)
InChIKeyIZJZWNLMZJTMJW-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.71
Rot. Bonds6

About 3-bromo-N-[3-(N-methylanilino)propyl]benzamide

3-bromo-N-[3-(N-methylanilino)propyl]benzamide (PubChem CID 8802899) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 3-bromo-N-[3-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(N-methylanilino)propyl]benzamide
PubChem CID8802899
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name3-bromo-N-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1cccc(Br)c1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-20(16-9-3-2-4-10-16)12-6-11-19-17(21)14-7-5-8-15(18)13-14/h2-5,7-10,13H,6,11-12H2,1H3,(H,19,21)
InChIKeyIZJZWNLMZJTMJW-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(N-methylanilino)propyl]benzamide
CID 18110891
4-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802898
3-(carbamoylamino)-N-[3-(N-methylanilino)propyl]benzamide
CID 37315817
3-cyano-N-[3-(N-methylanilino)propyl]benzamide
CID 24708607
1-(3-bromophenyl)-3-[3-(N-methylanilino)propyl]urea
CID 52543075
4-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
3-bromo-N-[2-(N-methylsulfonylanilino)ethyl]benzamide
CID 113068437
2-(3-bromophenoxy)-N-[3-(N-methylanilino)propyl]acetamide
CID 8802905
3-(chloromethyl)-N-[2-(N-methylanilino)ethyl]benzamide
CID 43347009
4-bromo-1-methyl-N-[3-(N-methylanilino)propyl]pyrrole-2-carboxamide
CID 43411208
3-bromo-N-(5-hydroxypentyl)benzamide
CID 107317897
3-bromo-N-dodecylbenzamide
CID 603918

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(N-methylanilino)propyl]benzamide?
The IUPAC name of 3-bromo-N-[3-(N-methylanilino)propyl]benzamide (CID 8802899) is 3-bromo-N-[3-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for 3-bromo-N-[3-(N-methylanilino)propyl]benzamide?
The canonical SMILES for 3-bromo-N-[3-(N-methylanilino)propyl]benzamide is CN(CCCNC(=O)c1cccc(Br)c1)c1ccccc1.
What is the InChIKey of 3-bromo-N-[3-(N-methylanilino)propyl]benzamide?
The InChIKey is IZJZWNLMZJTMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-20(16-9-3-2-4-10-16)12-6-11-19-17(21)14-7-5-8-15(18)13-14/h2-5,7-10,13H,6,11-12H2,1H3,(H,19,21).
What are the key properties of 3-bromo-N-[3-(N-methylanilino)propyl]benzamide?
3-bromo-N-[3-(N-methylanilino)propyl]benzamide has a molecular weight of 347.26 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 8802899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).