N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide

C16H16N4O5 — CID 5410715

IUPACN-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide
SMILESO=C(N/N=C\c1ccc(N2CCOCC2)o1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H16N4O5/c21-16(13-3-1-2-4-14(13)20(22)23)18-17-11-12-5-6-15(25-12)19-7-9-24-10-8-19/h1-6,11H,7-10H2,(H,18,21)/b17-11-
InChIKeyGTFMHBZLVDXJST-BOPFTXTBSA-N
MW344.33 g/mol
LogP1.79
Rot. Bonds5

About N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide

N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide (PubChem CID 5410715) has the molecular formula C16H16N4O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide
PubChem CID5410715
Molecular FormulaC16H16N4O5
Molecular Weight344.33 g/mol
Exact Mass344.11
IUPAC NameN-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide
SMILESO=C(N/N=C\c1ccc(N2CCOCC2)o1)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H16N4O5/c21-16(13-3-1-2-4-14(13)20(22)23)18-17-11-12-5-6-15(25-12)19-7-9-24-10-8-19/h1-6,11H,7-10H2,(H,18,21)/b17-11-
InChIKeyGTFMHBZLVDXJST-BOPFTXTBSA-N
XLogP1.79
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_A(15)', 'substructure': 'N/A'}, {'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

2-methoxy-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
CID 126015567
2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
3-chloro-N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]benzamide
CID 126021065
2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 51660057
3-methyl-N-[(5-morpholin-4-ylfuran-2-yl)methylideneamino]butanamide
CID 1278423
2-nitro-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5394670
N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]morpholine-4-carboxamide
CID 6444719
2-methyl-N-[(Z)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126171058
2-nitro-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4263662
2-fluoro-N-[(4-morpholin-4-ylphenyl)methylideneamino]benzamide
CID 2330481
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-nitrobenzamide
CID 693965
3-nitro-N-[(Z)-(5-piperidin-1-ylfuran-2-yl)methylideneamino]pyridin-2-amine
CID 126106049

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide?
The IUPAC name of N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide (CID 5410715) is N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide?
The canonical SMILES for N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide is O=C(N/N=C\c1ccc(N2CCOCC2)o1)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide?
The InChIKey is GTFMHBZLVDXJST-BOPFTXTBSA-N. The full InChI is InChI=1S/C16H16N4O5/c21-16(13-3-1-2-4-14(13)20(22)23)18-17-11-12-5-6-15(25-12)19-7-9-24-10-8-19/h1-6,11H,7-10H2,(H,18,21)/b17-11-.
What are the key properties of N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide?
N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide has a molecular weight of 344.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-morpholin-4-ylfuran-2-yl)methylideneamino]-2-nitrobenzamide is sourced from PubChem (CID 5410715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).