N-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide

C12H10N3O4- — CID 163138567

IUPACN-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide
SMILESO=C(NN=Cc1ccco1)c1cccc(N([O-])O)c1
InChIInChI=1S/C12H10N3O4/c16-12(14-13-8-11-5-2-6-19-11)9-3-1-4-10(7-9)15(17)18/h1-8,17H,(H,14,16)/q-1
InChIKeyAYOVBLDDNYNFIF-UHFFFAOYSA-N
MW260.23 g/mol
LogP1.74
Rot. Bonds4

About N-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide

N-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide (PubChem CID 163138567) has the molecular formula C12H10N3O4- and a molecular weight of 260.23 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide
PubChem CID163138567
Molecular FormulaC12H10N3O4-
Molecular Weight260.23 g/mol
Exact Mass260.07
IUPAC NameN-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide
SMILESO=C(NN=Cc1ccco1)c1cccc(N([O-])O)c1
InChIInChI=1S/C12H10N3O4/c16-12(14-13-8-11-5-2-6-19-11)9-3-1-4-10(7-9)15(17)18/h1-8,17H,(H,14,16)/q-1
InChIKeyAYOVBLDDNYNFIF-UHFFFAOYSA-N
XLogP1.74
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[(E)-furan-2-ylmethylideneamino]benzamide
CID 6895117
3-acetamido-N-(furan-2-ylmethylideneamino)benzamide
CID 967548
N-(furan-2-ylmethylideneamino)naphthalene-2-carboxamide
CID 67077074
3,4-dichloro-N-(furan-2-ylmethylideneamino)benzamide
CID 4991897
N-[(E)-furan-2-ylmethylideneamino]-1-oxidopyridin-1-ium-3-carboxamide
CID 6899147
N-[(Z)-furan-2-ylmethylideneamino]-4-methylbenzamide
CID 5402801
3-[(4-chlorobenzoyl)amino]-N-[(Z)-furan-2-ylmethylideneamino]benzamide
CID 5435136
3-[(4-chlorobenzoyl)amino]-N-(furan-2-ylmethylideneamino)benzamide
CID 1034838
cobalt;bis(N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide)
CID 10885414
3-[hydroxy(oxido)amino]benzohydrazide
CID 163158257
N-[(Z)-furan-2-ylmethylideneamino]-2-sulfanylidene-1,3-dihydrobenzimidazole-5-carboxamide
CID 110522943
N-(furan-2-ylmethylideneamino)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 714311

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide (CID 163138567) is N-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide is O=C(NN=Cc1ccco1)c1cccc(N([O-])O)c1.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide?
The InChIKey is AYOVBLDDNYNFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N3O4/c16-12(14-13-8-11-5-2-6-19-11)9-3-1-4-10(7-9)15(17)18/h1-8,17H,(H,14,16)/q-1.
What are the key properties of N-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide?
N-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide has a molecular weight of 260.23 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-3-[hydroxy(oxido)amino]benzamide is sourced from PubChem (CID 163138567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).