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

C17H19BrN2O — CID 8802898

IUPAC4-bromo-N-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-20(16-6-3-2-4-7-16)13-5-12-19-17(21)14-8-10-15(18)11-9-14/h2-4,6-11H,5,12-13H2,1H3,(H,19,21)
InChIKeyNDMLVVCHZGBKRJ-UHFFFAOYSA-N
MW347.26 g/mol
LogP3.71
Rot. Bonds6

About 4-bromo-N-[3-(N-methylanilino)propyl]benzamide

4-bromo-N-[3-(N-methylanilino)propyl]benzamide (PubChem CID 8802898) has the molecular formula C17H19BrN2O and a molecular weight of 347.26 g/mol. Its IUPAC name is 4-bromo-N-[3-(N-methylanilino)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-(N-methylanilino)propyl]benzamide
PubChem CID8802898
Molecular FormulaC17H19BrN2O
Molecular Weight347.26 g/mol
Exact Mass346.07
IUPAC Name4-bromo-N-[3-(N-methylanilino)propyl]benzamide
SMILESCN(CCCNC(=O)c1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H19BrN2O/c1-20(16-6-3-2-4-7-16)13-5-12-19-17(21)14-8-10-15(18)11-9-14/h2-4,6-11H,5,12-13H2,1H3,(H,19,21)
InChIKeyNDMLVVCHZGBKRJ-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-methyl-N-[3-(N-methylanilino)propyl]benzamide
CID 27746793
3-bromo-N-[3-(N-methylanilino)propyl]benzamide
CID 8802899
methyl 4-[3-(N-methylanilino)propylcarbamoyl]benzoate
CID 27746721
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
4-(difluoromethoxy)-N-[3-(N-methylanilino)propyl]benzamide
CID 27746715
1-(4-bromophenyl)-4-(N-methylanilino)butan-1-one
CID 43229292
4-bromo-1-methyl-N-[3-(N-methylanilino)propyl]pyrrole-2-carboxamide
CID 43411208
N-[3-(N-methylanilino)propyl]-4-(piperidin-1-ylmethyl)benzamide
CID 17422605
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
N-[3-(N-methylanilino)propyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764046
4-[(2-fluorophenyl)sulfamoyl]-N-[3-(N-methylanilino)propyl]benzamide
CID 43017074

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(N-methylanilino)propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-(N-methylanilino)propyl]benzamide (CID 8802898) is 4-bromo-N-[3-(N-methylanilino)propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-(N-methylanilino)propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-(N-methylanilino)propyl]benzamide is CN(CCCNC(=O)c1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 4-bromo-N-[3-(N-methylanilino)propyl]benzamide?
The InChIKey is NDMLVVCHZGBKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O/c1-20(16-6-3-2-4-7-16)13-5-12-19-17(21)14-8-10-15(18)11-9-14/h2-4,6-11H,5,12-13H2,1H3,(H,19,21).
What are the key properties of 4-bromo-N-[3-(N-methylanilino)propyl]benzamide?
4-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 4-bromo-N-[3-(N-methylanilino)propyl]benzamide is sourced from PubChem (CID 8802898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).