2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide

C13H11N3O4 — CID 5403994

IUPAC2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O4/c1-9-11(6-7-20-9)13(17)15-14-8-10-4-2-3-5-12(10)16(18)19/h2-8H,1H3,(H,15,17)/b14-8-
InChIKeyYAAUJXYWRCSAAB-ZSOIEALJSA-N
MW273.25 g/mol
LogP2.26
Rot. Bonds4

About 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide

2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide (PubChem CID 5403994) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide
PubChem CID5403994
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O4/c1-9-11(6-7-20-9)13(17)15-14-8-10-4-2-3-5-12(10)16(18)19/h2-8H,1H3,(H,15,17)/b14-8-
InChIKeyYAAUJXYWRCSAAB-ZSOIEALJSA-N
XLogP2.26
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide 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

N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5402053
2-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]furan-3-carboxamide
CID 6878666
2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 5402054
2,4-dihydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 5332442
4-hydroxy-3-methyl-N-[(2-nitrophenyl)methylideneamino]-1-benzofuran-5-carboxamide
CID 174851493
3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6870532
2,4-dichloro-N-[(2-nitrophenyl)methylideneamino]benzamide
CID 774246
[(2-nitrophenyl)methylideneamino](13C)urea
CID 57370038
[(E)-[2-[oxido(oxo)(15N)(15N)azaniumyl]phenyl](113C)methylideneamino]urea
CID 155903854
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 932462
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 135781724
2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 5414501

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide (CID 5403994) is 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide is Cc1occc1C(=O)N/N=C\c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide?
The InChIKey is YAAUJXYWRCSAAB-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-9-11(6-7-20-9)13(17)15-14-8-10-4-2-3-5-12(10)16(18)19/h2-8H,1H3,(H,15,17)/b14-8-.
What are the key properties of 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide?
2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide has a molecular weight of 273.25 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-(2-nitrophenyl)methylideneamino]furan-3-carboxamide is sourced from PubChem (CID 5403994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).