N-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C16H16N4O7 — CID 6110543

IUPACN-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C16H16N4O7/c1-25-13-7-14(26-2)11(20(23)24)6-10(13)8-18-19-15(21)9-17-16(22)12-4-3-5-27-12/h3-8H,9H2,1-2H3,(H,17,22)(H,19,21)/b18-8-
InChIKeyWGYNWCTVIXWUEN-LSCVHKIXSA-N
MW376.33 g/mol
LogP1.09
Rot. Bonds8

About N-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 6110543) has the molecular formula C16H16N4O7 and a molecular weight of 376.33 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID6110543
Molecular FormulaC16H16N4O7
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC NameN-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C16H16N4O7/c1-25-13-7-14(26-2)11(20(23)24)6-10(13)8-18-19-15(21)9-17-16(22)12-4-3-5-27-12/h3-8H,9H2,1-2H3,(H,17,22)(H,19,21)/b18-8-
InChIKeyWGYNWCTVIXWUEN-LSCVHKIXSA-N
XLogP1.09
TPSA145.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7719992
4-chloro-N-[2-[2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 3330849
2-anilino-N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]acetamide
CID 126393565
2-methoxy-N-[2-[2-[(2-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 4007452
N-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 110506679
1-[(E)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-3-ethylthiourea
CID 110508738
N-[2-[2-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 3098535
N-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 135684775
[4-[[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methoxybenzoate
CID 4660927
N-[2-[(2E)-2-[(2-hydroxy-3,5-dinitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]-2-methoxybenzamide
CID 135514407
N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-3-(trifluoromethyl)benzamide
CID 40591844
N-[(Z)-(2,4-dimethoxy-5-nitrophenyl)methylideneamino]-1-methyl-2-oxopyridine-3-carboxamide
CID 110523579

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 6110543) is N-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)CNC(=O)c1ccco1.
What is the InChIKey of N-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is WGYNWCTVIXWUEN-LSCVHKIXSA-N. The full InChI is InChI=1S/C16H16N4O7/c1-25-13-7-14(26-2)11(20(23)24)6-10(13)8-18-19-15(21)9-17-16(22)12-4-3-5-27-12/h3-8H,9H2,1-2H3,(H,17,22)(H,19,21)/b18-8-.
What are the key properties of N-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 376.33 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 6110543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).