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

C17H15BrN2O2 — CID 6899759

IUPACN-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C/C(Br)=C/c2ccccc2)c1
InChIInChI=1S/C17H15BrN2O2/c1-22-16-9-5-8-14(11-16)17(21)20-19-12-15(18)10-13-6-3-2-4-7-13/h2-12H,1H3,(H,20,21)/b15-10-,19-12+
InChIKeyHGEXSWSRHAAZGE-FLZPNWGKSA-N
MW359.22 g/mol
LogP3.85
Rot. Bonds5

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

N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-methoxybenzamide (PubChem CID 6899759) has the molecular formula C17H15BrN2O2 and a molecular weight of 359.22 g/mol. Its IUPAC name is N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-methoxybenzamide
PubChem CID6899759
Molecular FormulaC17H15BrN2O2
Molecular Weight359.22 g/mol
Exact Mass358.03
IUPAC NameN-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N/N=C/C(Br)=C/c2ccccc2)c1
InChIInChI=1S/C17H15BrN2O2/c1-22-16-9-5-8-14(11-16)17(21)20-19-12-15(18)10-13-6-3-2-4-7-13/h2-12H,1H3,(H,20,21)/b15-10-,19-12+
InChIKeyHGEXSWSRHAAZGE-FLZPNWGKSA-N
XLogP3.85
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-methoxybenzamide?
The IUPAC name of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-methoxybenzamide (CID 6899759) is N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-methoxybenzamide.
What is the SMILES notation for N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-methoxybenzamide?
The canonical SMILES for N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-methoxybenzamide is COc1cccc(C(=O)N/N=C/C(Br)=C/c2ccccc2)c1.
What is the InChIKey of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-methoxybenzamide?
The InChIKey is HGEXSWSRHAAZGE-FLZPNWGKSA-N. The full InChI is InChI=1S/C17H15BrN2O2/c1-22-16-9-5-8-14(11-16)17(21)20-19-12-15(18)10-13-6-3-2-4-7-13/h2-12H,1H3,(H,20,21)/b15-10-,19-12+.
What are the key properties of N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-methoxybenzamide?
N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-methoxybenzamide has a molecular weight of 359.22 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-3-methoxybenzamide is sourced from PubChem (CID 6899759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).