2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide

C16H15BrN2O — CID 4307399

IUPAC2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide
SMILESCC(Cc1ccccc1)=NNC(=O)c1ccccc1Br
InChIInChI=1S/C16H15BrN2O/c1-12(11-13-7-3-2-4-8-13)18-19-16(20)14-9-5-6-10-15(14)17/h2-10H,11H2,1H3,(H,19,20)
InChIKeyXSLOLJHHQWMPHH-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.80
Rot. Bonds4

About 2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide

2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide (PubChem CID 4307399) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide.

Molecular Properties

Compound Name2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide
PubChem CID4307399
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide
SMILESCC(Cc1ccccc1)=NNC(=O)c1ccccc1Br
InChIInChI=1S/C16H15BrN2O/c1-12(11-13-7-3-2-4-8-13)18-19-16(20)14-9-5-6-10-15(14)17/h2-10H,11H2,1H3,(H,19,20)
InChIKeyXSLOLJHHQWMPHH-UHFFFAOYSA-N
XLogP3.80
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.80
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-bromo-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 7937148
4-hydroxy-N-[(E)-1-phenylpropan-2-ylideneamino]benzamide
CID 6019614
4-fluoro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 847534
N,N'-bis[(Z)-1-phenylpropan-2-ylideneamino]butanediamide
CID 6379679
4-chloro-N-(1-phenylpropan-2-ylideneamino)benzamide
CID 3643342
2-bromo-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
CID 9016507
2-bromo-N-[(Z)-4-[4-(difluoromethoxy)phenyl]butan-2-ylideneamino]benzamide
CID 9016538
2-bromo-N-[(E)-[4-oxo-4-(4-propan-2-ylanilino)butan-2-ylidene]amino]benzamide
CID 171980942
N-[[4-(1-adamantylamino)-4-oxobutan-2-ylidene]amino]-2-bromobenzamide
CID 3108554
2-bromo-N-[1-(3-hydroxy-2-oxo-1H-indol-3-yl)propan-2-ylideneamino]benzamide
CID 3098514
2-bromo-N-[2-oxo-2-[(2E)-2-pentan-2-ylidenehydrazinyl]ethyl]benzamide
CID 171980714
4-amino-N-(1-phenylpropan-2-ylideneamino)-1,2,5-oxadiazole-3-carboxamide
CID 915598

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide?
The IUPAC name of 2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide (CID 4307399) is 2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide.
What is the SMILES notation for 2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide?
The canonical SMILES for 2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide is CC(Cc1ccccc1)=NNC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide?
The InChIKey is XSLOLJHHQWMPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-12(11-13-7-3-2-4-8-13)18-19-16(20)14-9-5-6-10-15(14)17/h2-10H,11H2,1H3,(H,19,20).
What are the key properties of 2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide?
2-bromo-N-(1-phenylpropan-2-ylideneamino)benzamide has a molecular weight of 331.21 g/mol, XLogP of 3.80, 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-phenylpropan-2-ylideneamino)benzamide is sourced from PubChem (CID 4307399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).