N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide

C15H13BrN2O2 — CID 6868936

IUPACN-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/C(Br)=C\c1ccccc1
InChIInChI=1S/C15H13BrN2O2/c1-11-14(7-8-20-11)15(19)18-17-10-13(16)9-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)/b13-9+,17-10+
InChIKeyJLHFRTYOQNRVGP-HFRXNJIXSA-N
MW333.19 g/mol
LogP3.74
Rot. Bonds4

About N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide

N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide (PubChem CID 6868936) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide
PubChem CID6868936
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC NameN-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C/C(Br)=C\c1ccccc1
InChIInChI=1S/C15H13BrN2O2/c1-11-14(7-8-20-11)15(19)18-17-10-13(16)9-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)/b13-9+,17-10+
InChIKeyJLHFRTYOQNRVGP-HFRXNJIXSA-N
XLogP3.74
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.74
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)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide (CID 6868936) is N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N/N=C/C(Br)=C\c1ccccc1.
What is the InChIKey of N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide?
The InChIKey is JLHFRTYOQNRVGP-HFRXNJIXSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c1-11-14(7-8-20-11)15(19)18-17-10-13(16)9-12-5-3-2-4-6-12/h2-10H,1H3,(H,18,19)/b13-9+,17-10+.
What are the key properties of N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide?
N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide has a molecular weight of 333.19 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 6868936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).