2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide

C17H17BrN2O — CID 3635531

IUPAC2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1ccccc1Br)c1ccc(C)cc1
InChIInChI=1S/C17H17BrN2O/c1-3-16(13-10-8-12(2)9-11-13)19-20-17(21)14-6-4-5-7-15(14)18/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyWKBODCHBCFADSN-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.30
Rot. Bonds4

About 2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide

2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide (PubChem CID 3635531) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide
PubChem CID3635531
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide
SMILESCCC(=NNC(=O)c1ccccc1Br)c1ccc(C)cc1
InChIInChI=1S/C17H17BrN2O/c1-3-16(13-10-8-12(2)9-11-13)19-20-17(21)14-6-4-5-7-15(14)18/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyWKBODCHBCFADSN-UHFFFAOYSA-N
XLogP4.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4195749
2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 5391962
N-[(E)-1-(2-hydroxyphenyl)propylideneamino]-4-methylbenzamide
CID 135716964
4-hydroxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4622646
N-[1-(4-chlorophenyl)propylideneamino]-2-hydroxybenzamide
CID 4608756
4-(dimethylamino)-N-[(Z)-1-(4-methylphenyl)propylideneamino]benzamide
CID 6382403
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-methoxybenzamide
CID 135643099
2-fluoro-N-(1-phenylpropylideneamino)benzamide
CID 4162373
2-fluoro-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]benzamide
CID 135609434
N'-[(E)-1-(4-methylphenyl)propylideneamino]oxamide
CID 6380385
N-[1-(4-hydroxyphenyl)propylideneamino]naphthalene-1-carboxamide
CID 903928
3-chloro-N-[(E)-1-(4-methylphenyl)propylideneamino]benzamide
CID 19685134

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide?
The IUPAC name of 2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide (CID 3635531) is 2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide.
What is the SMILES notation for 2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide?
The canonical SMILES for 2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide is CCC(=NNC(=O)c1ccccc1Br)c1ccc(C)cc1.
What is the InChIKey of 2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide?
The InChIKey is WKBODCHBCFADSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-3-16(13-10-8-12(2)9-11-13)19-20-17(21)14-6-4-5-7-15(14)18/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of 2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide?
2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide has a molecular weight of 345.24 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-methylphenyl)propylideneamino]benzamide is sourced from PubChem (CID 3635531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).