N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide

C8H9BrN2O2 — CID 3756517

IUPACN-[(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCC(=O)NN=Cc1cc(Br)c(C)o1
InChIInChI=1S/C8H9BrN2O2/c1-5-8(9)3-7(13-5)4-10-11-6(2)12/h3-4H,1-2H3,(H,11,12)
InChIKeyXFQOVLAMOKNRGJ-UHFFFAOYSA-N
MW245.08 g/mol
LogP1.82
Rot. Bonds2

About N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide

N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide (PubChem CID 3756517) has the molecular formula C8H9BrN2O2 and a molecular weight of 245.08 g/mol. Its IUPAC name is N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound NameN-[(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide
PubChem CID3756517
Molecular FormulaC8H9BrN2O2
Molecular Weight245.08 g/mol
Exact Mass243.98
IUPAC NameN-[(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide
SMILESCC(=O)NN=Cc1cc(Br)c(C)o1
InChIInChI=1S/C8H9BrN2O2/c1-5-8(9)3-7(13-5)4-10-11-6(2)12/h3-4H,1-2H3,(H,11,12)
InChIKeyXFQOVLAMOKNRGJ-UHFFFAOYSA-N
XLogP1.82
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.08
LogP ≤ 51.82
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

N-[[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]acetamide
CID 1279253
(2S)-N-[(Z)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylsulfanylpropanamide
CID 40592405
N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 2880053
N-[(E)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 171979594
(2S)-2-benzylsulfanyl-N-[(Z)-(4-bromo-5-methylfuran-2-yl)methylideneamino]propanamide
CID 7258555
N-[(Z)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 94838512
N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-(2,6-dimethyl-N-methylsulfonylanilino)acetamide
CID 3128299
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(Z)-(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide
CID 94838500
3-acetamido-N-[(4,5-dibromofuran-2-yl)methylideneamino]benzamide
CID 4675138
N-[(Z)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 92661088
N-[(Z)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 98056049
(2R)-N-[(Z)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126033327

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide?
The IUPAC name of N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide (CID 3756517) is N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide.
What is the SMILES notation for N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide?
The canonical SMILES for N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide is CC(=O)NN=Cc1cc(Br)c(C)o1.
What is the InChIKey of N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide?
The InChIKey is XFQOVLAMOKNRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O2/c1-5-8(9)3-7(13-5)4-10-11-6(2)12/h3-4H,1-2H3,(H,11,12).
What are the key properties of N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide?
N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide has a molecular weight of 245.08 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 3756517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).