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

C15H15BrN2O3 — CID 2880053

IUPACN-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NN=Cc1cc(Br)c(C)o1)c1ccccc1
InChIInChI=1S/C15H15BrN2O3/c1-10-13(16)8-12(21-10)9-17-18-15(19)14(20-2)11-6-4-3-5-7-11/h3-9,14H,1-2H3,(H,18,19)
InChIKeyNHNVZSYLIUPXOF-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.19
Rot. Bonds5

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

N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-methoxy-2-phenylacetamide (PubChem CID 2880053) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-methoxy-2-phenylacetamide
PubChem CID2880053
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC NameN-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-methoxy-2-phenylacetamide
SMILESCOC(C(=O)NN=Cc1cc(Br)c(C)o1)c1ccccc1
InChIInChI=1S/C15H15BrN2O3/c1-10-13(16)8-12(21-10)9-17-18-15(19)14(20-2)11-6-4-3-5-7-11/h3-9,14H,1-2H3,(H,18,19)
InChIKeyNHNVZSYLIUPXOF-UHFFFAOYSA-N
XLogP3.19
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylsulfanylpropanamide
CID 40592405
(2R)-2-methoxy-2-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5414338
2-methoxy-2-phenyl-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 2851057
(2S)-2-benzylsulfanyl-N-[(Z)-(4-bromo-5-methylfuran-2-yl)methylideneamino]propanamide
CID 7258555
(2S)-2-methoxy-N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenylacetamide
CID 5410616
(2S)-N-[(4,5-dibromofuran-2-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 1034854
N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]acetamide
CID 3756517
(2S)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 136757922
(2R)-N-[(Z)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126033327
(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-methoxy-2-phenylacetamide
CID 5414429
2-methoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 5334215
2-methoxy-2-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 17389304

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-methoxy-2-phenylacetamide (CID 2880053) is N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-methoxy-2-phenylacetamide is COC(C(=O)NN=Cc1cc(Br)c(C)o1)c1ccccc1.
What is the InChIKey of N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-methoxy-2-phenylacetamide?
The InChIKey is NHNVZSYLIUPXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-10-13(16)8-12(21-10)9-17-18-15(19)14(20-2)11-6-4-3-5-7-11/h3-9,14H,1-2H3,(H,18,19).
What are the key properties of N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-methoxy-2-phenylacetamide?
N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-methoxy-2-phenylacetamide has a molecular weight of 351.20 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 2880053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).