N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide

C13H10Br2N2O2 — CID 5332613

IUPACN-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1cc(Br)c(Br)o1
InChIInChI=1S/C13H10Br2N2O2/c14-11-7-10(19-13(11)15)8-16-17-12(18)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,17,18)/b16-8+
InChIKeyLCZPELWZGAUFTQ-LZYBPNLTSA-N
MW386.04 g/mol
LogP3.50
Rot. Bonds4

About N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide

N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide (PubChem CID 5332613) has the molecular formula C13H10Br2N2O2 and a molecular weight of 386.04 g/mol. Its IUPAC name is N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide
PubChem CID5332613
Molecular FormulaC13H10Br2N2O2
Molecular Weight386.04 g/mol
Exact Mass383.91
IUPAC NameN-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N/N=C/c1cc(Br)c(Br)o1
InChIInChI=1S/C13H10Br2N2O2/c14-11-7-10(19-13(11)15)8-16-17-12(18)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,17,18)/b16-8+
InChIKeyLCZPELWZGAUFTQ-LZYBPNLTSA-N
XLogP3.50
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.04
LogP ≤ 53.50
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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Related Compounds

(2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 1034854
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6886154
N-[(Z)-(4-bromothiophen-2-yl)methylideneamino]-2-phenylacetamide
CID 6088161
1-[(4,5-dibromofuran-2-yl)methylideneamino]-3-phenylthiourea
CID 1282032
N-[(Z)-(2,5-dibromo-3,4-dihydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 136749233
2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 126006396
N-[(Z)-3-[(2E)-2-[(4,5-dibromofuran-2-yl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 5335415
N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-(2,5-dichlorophenoxy)acetamide
CID 3312533
sodium 5-[[(2-phenylacetyl)hydrazinylidene]methyl]furan-2-sulfonate
CID 74084471
N-[[5-(2-chlorophenyl)furan-2-yl]methylideneamino]-2-phenylacetamide
CID 947493
N-[(4,5-dibromofuran-2-yl)methylideneamino]quinoline-2-carboxamide
CID 2311190
N-[(Z)-(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-2-phenylacetamide
CID 110515319

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide?
The IUPAC name of N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide (CID 5332613) is N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide is O=C(Cc1ccccc1)N/N=C/c1cc(Br)c(Br)o1.
What is the InChIKey of N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide?
The InChIKey is LCZPELWZGAUFTQ-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H10Br2N2O2/c14-11-7-10(19-13(11)15)8-16-17-12(18)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,17,18)/b16-8+.
What are the key properties of N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide?
N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide has a molecular weight of 386.04 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4,5-dibromofuran-2-yl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 5332613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).