2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide

C17H15BrN2O — CID 5398003

IUPAC2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
SMILESCC(/C=N\NC(=O)c1ccccc1Br)=C\c1ccccc1
InChIInChI=1S/C17H15BrN2O/c1-13(11-14-7-3-2-4-8-14)12-19-20-17(21)15-9-5-6-10-16(15)18/h2-12H,1H3,(H,20,21)/b13-11+,19-12-
InChIKeyDAMOARAIBDTARW-KCVQHHRGSA-N
MW343.22 g/mol
LogP4.27
Rot. Bonds4

About 2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide

2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide (PubChem CID 5398003) has the molecular formula C17H15BrN2O and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
PubChem CID5398003
Molecular FormulaC17H15BrN2O
Molecular Weight343.22 g/mol
Exact Mass342.04
IUPAC Name2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
SMILESCC(/C=N\NC(=O)c1ccccc1Br)=C\c1ccccc1
InChIInChI=1S/C17H15BrN2O/c1-13(11-14-7-3-2-4-8-14)12-19-20-17(21)15-9-5-6-10-16(15)18/h2-12H,1H3,(H,20,21)/b13-11+,19-12-
InChIKeyDAMOARAIBDTARW-KCVQHHRGSA-N
XLogP4.27
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.27
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-[2-[2-[(Z)-2-methyl-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 129441190
2-hydroxy-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6898776
2-fluoro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4996860
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
3-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 6155802
2,4-dichloro-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3752825
4-methyl-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide
CID 51060496
2-chloro-5-iodo-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3623202
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
CID 92957541
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-indole-3-carboxamide
CID 6371781
4-tert-butyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 3833151
3-methyl-N-[(2-methyl-3-phenylprop-2-enylidene)amino]benzamide
CID 4175979

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide?
The IUPAC name of 2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide (CID 5398003) is 2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide.
What is the SMILES notation for 2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide?
The canonical SMILES for 2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide is CC(/C=N\NC(=O)c1ccccc1Br)=C\c1ccccc1.
What is the InChIKey of 2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide?
The InChIKey is DAMOARAIBDTARW-KCVQHHRGSA-N. The full InChI is InChI=1S/C17H15BrN2O/c1-13(11-14-7-3-2-4-8-14)12-19-20-17(21)15-9-5-6-10-16(15)18/h2-12H,1H3,(H,20,21)/b13-11+,19-12-.
What are the key properties of 2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide?
2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide has a molecular weight of 343.22 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]benzamide is sourced from PubChem (CID 5398003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).