N-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide

C14H13N3O3 — CID 570652

IUPACN-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NN=Cc1ccoc1
InChIInChI=1S/C14H13N3O3/c18-13(17-16-8-11-6-7-20-10-11)9-15-14(19)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,15,19)(H,17,18)
InChIKeyPJYSDBRXPVOBIY-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.16
Rot. Bonds5

About N-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide

N-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 570652) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID570652
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)NN=Cc1ccoc1
InChIInChI=1S/C14H13N3O3/c18-13(17-16-8-11-6-7-20-10-11)9-15-14(19)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,15,19)(H,17,18)
InChIKeyPJYSDBRXPVOBIY-UHFFFAOYSA-N
XLogP1.16
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.16
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-bromo-N-[2-[(2E)-2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 46502016
N-[2-[2-[2-[(2-benzamidoacetyl)hydrazinylidene]ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4082934
N-[2-oxo-2-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]ethyl]benzamide
CID 6884306
N-[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135644980
N-[2-[(2Z)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136732643
4-chloro-N-[2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6172797
4-methyl-N-[2-[2-[(4-methylphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3859238
N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135684451
N-[(Z)-furan-3-ylmethylideneamino]-3-methylbenzamide
CID 6231503
N-(furan-3-ylmethylideneamino)-3-methylbenzamide
CID 4923070
N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 6034339
N-[2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6893438

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide (CID 570652) is N-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1)NN=Cc1ccoc1.
What is the InChIKey of N-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is PJYSDBRXPVOBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13(17-16-8-11-6-7-20-10-11)9-15-14(19)12-4-2-1-3-5-12/h1-8,10H,9H2,(H,15,19)(H,17,18).
What are the key properties of N-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide?
N-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 271.28 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(furan-3-ylmethylidene)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 570652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).