N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide

C19H15N3O5 — CID 50883538

IUPACN-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
SMILESCOc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)c2ccccc2)o1
InChIInChI=1S/C19H15N3O5/c1-26-18-11-14(22(24)25)7-9-16(18)17-10-8-15(27-17)12-20-21-19(23)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,23)
InChIKeyDGGUYAHMCKTVRO-UHFFFAOYSA-N
MW365.35 g/mol
LogP3.63
Rot. Bonds6

About N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide

N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide (PubChem CID 50883538) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
PubChem CID50883538
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC NameN-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
SMILESCOc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)c2ccccc2)o1
InChIInChI=1S/C19H15N3O5/c1-26-18-11-14(22(24)25)7-9-16(18)17-10-8-15(27-17)12-20-21-19(23)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,23)
InChIKeyDGGUYAHMCKTVRO-UHFFFAOYSA-N
XLogP3.63
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 94829872
N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide
CID 19060930
2-amino-N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 75123915
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]acetamide
CID 886623
2-[5-[(Z)-(benzoylhydrazinylidene)methyl]furan-2-yl]-5-nitrobenzoic acid
CID 126145602
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7368852
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-methoxybenzamide
CID 6077231
tert-butyl N-[(E)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]carbamate
CID 6883311
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 3436539
2-methoxy-N-[(Z)-[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 6298177
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126364062
N-[(Z)-[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147688

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The IUPAC name of N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide (CID 50883538) is N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide.
What is the SMILES notation for N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The canonical SMILES for N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide is COc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNC(=O)c2ccccc2)o1.
What is the InChIKey of N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
The InChIKey is DGGUYAHMCKTVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-26-18-11-14(22(24)25)7-9-16(18)17-10-8-15(27-17)12-20-21-19(23)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,23).
What are the key properties of N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide?
N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide has a molecular weight of 365.35 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 50883538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).