N-[(E)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]naphthalene-1-carboxamide

C24H19N3O5 — CID 135648550

IUPACN-[(E)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]naphthalene-1-carboxamide
SMILESO=C(N/N=C/c1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3)c1cccc2ccccc12
InChIInChI=1S/C24H19N3O5/c28-23-18(13-25-26-24(29)16-10-5-7-14-6-1-2-8-15(14)16)22-17-9-3-4-11-20(17)32-21(22)12-19(23)27(30)31/h1-2,5-8,10,12-13,28H,3-4,9,11H2,(H,26,29)/b25-13+
InChIKeyDOLIEJKLLOBPCK-DHRITJCHSA-N
MW429.43 g/mol
LogP4.84
Rot. Bonds4

About N-[(E)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]naphthalene-1-carboxamide

N-[(E)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]naphthalene-1-carboxamide (PubChem CID 135648550) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]naphthalene-1-carboxamide
PubChem CID135648550
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC NameN-[(E)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]naphthalene-1-carboxamide
SMILESO=C(N/N=C/c1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3)c1cccc2ccccc12
InChIInChI=1S/C24H19N3O5/c28-23-18(13-25-26-24(29)16-10-5-7-14-6-1-2-8-15(14)16)22-17-9-3-4-11-20(17)32-21(22)12-19(23)27(30)31/h1-2,5-8,10,12-13,28H,3-4,9,11H2,(H,26,29)/b25-13+
InChIKeyDOLIEJKLLOBPCK-DHRITJCHSA-N
XLogP4.84
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

N-[(3-bromo-2-hydroxy-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]-3-hydroxy-1-benzothiophene-2-carboxamide
CID 2311570
(2R)-2-[(E)-(4-bromophenyl)methylideneamino]oxy-N-[(Z)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]propanamide
CID 136886622
N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-1-carboxamide
CID 126183671
N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide
CID 136670478
1-[(3,5-ditert-butyl-2-hydroxyphenyl)iminomethyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-ol
CID 171976999
N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 135830603
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]naphthalene-1-carboxamide
CID 94847766
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 135716656
2-[1-[(E)-[(6-bromo-2-oxochromene-3-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl]oxycarbonyl-3-nitrobenzoic acid
CID 171979283
N-[(E)-(3-hydroxynaphthalen-2-yl)methylideneamino]naphthalene-1-carboxamide
CID 135646993
[1-[(E)-[(1-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate
CID 46500871
1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide
CID 5341086

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]naphthalene-1-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]naphthalene-1-carboxamide (CID 135648550) is N-[(E)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]naphthalene-1-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]naphthalene-1-carboxamide is O=C(N/N=C/c1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3)c1cccc2ccccc12.
What is the InChIKey of N-[(E)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]naphthalene-1-carboxamide?
The InChIKey is DOLIEJKLLOBPCK-DHRITJCHSA-N. The full InChI is InChI=1S/C24H19N3O5/c28-23-18(13-25-26-24(29)16-10-5-7-14-6-1-2-8-15(14)16)22-17-9-3-4-11-20(17)32-21(22)12-19(23)27(30)31/h1-2,5-8,10,12-13,28H,3-4,9,11H2,(H,26,29)/b25-13+.
What are the key properties of N-[(E)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]naphthalene-1-carboxamide?
N-[(E)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]naphthalene-1-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzofuran-1-yl)methylideneamino]naphthalene-1-carboxamide is sourced from PubChem (CID 135648550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).