N-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide

C13H12BrN3O2 — CID 5151377

IUPACN-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide
SMILESO=C(CNN=Cc1ccco1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H12BrN3O2/c14-10-3-5-11(6-4-10)17-13(18)9-16-15-8-12-2-1-7-19-12/h1-8,16H,9H2,(H,17,18)
InChIKeyLLDRZTCVDDXSLK-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.60
Rot. Bonds5

About N-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide

N-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide (PubChem CID 5151377) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide
PubChem CID5151377
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC NameN-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide
SMILESO=C(CNN=Cc1ccco1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H12BrN3O2/c14-10-3-5-11(6-4-10)17-13(18)9-16-15-8-12-2-1-7-19-12/h1-8,16H,9H2,(H,17,18)
InChIKeyLLDRZTCVDDXSLK-UHFFFAOYSA-N
XLogP2.60
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.60
H-Bond Donors ≤ 52
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

2-(4-bromoanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5404211
N'-[(Z)-furan-2-ylmethylideneamino]-N-(4-methylphenyl)butanediamide
CID 6053974
N-(4-bromophenyl)-2-[(2Z)-2-[(E)-furan-2-ylmethylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetamide
CID 135897948
N-[(Z)-furan-2-ylmethylideneamino]-4-(propanoylamino)benzamide
CID 5416550
2-(3,5-dibromo-4-methylanilino)-N-[(E)-furan-2-ylmethylideneamino]acetamide
CID 6039229
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
(E)-N-[(E)-furan-2-ylmethylideneamino]-N'-[(Z)-furan-2-ylmethylideneamino]hex-3-enediamide
CID 45050499
2-anilino-N-(furan-2-ylmethylideneamino)acetamide
CID 3757182
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
N'-[(E)-furan-2-ylmethylideneamino]methanediamine
CID 143034278
N-(4-ethoxyphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
CID 3584762
2-(3,4-dimethylanilino)-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 5426354

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide (CID 5151377) is N-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide is O=C(CNN=Cc1ccco1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide?
The InChIKey is LLDRZTCVDDXSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c14-10-3-5-11(6-4-10)17-13(18)9-16-15-8-12-2-1-7-19-12/h1-8,16H,9H2,(H,17,18).
What are the key properties of N-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide?
N-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide has a molecular weight of 322.16 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[2-(furan-2-ylmethylidene)hydrazinyl]acetamide is sourced from PubChem (CID 5151377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).