3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide

C25H19N3O5 — CID 5137761

IUPAC3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
SMILESO=C(NN=Cc1ccccc1OCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O
InChIInChI=1S/C25H19N3O5/c29-23-14-19-8-2-1-7-18(19)13-22(23)25(30)27-26-15-20-9-3-4-11-24(20)33-16-17-6-5-10-21(12-17)28(31)32/h1-15,29H,16H2,(H,27,30)
InChIKeyAXNNLBKSIUORAK-UHFFFAOYSA-N
MW441.44 g/mol
LogP4.80
Rot. Bonds7

About 3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide

3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide (PubChem CID 5137761) has the molecular formula C25H19N3O5 and a molecular weight of 441.44 g/mol. Its IUPAC name is 3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
PubChem CID5137761
Molecular FormulaC25H19N3O5
Molecular Weight441.44 g/mol
Exact Mass441.13
IUPAC Name3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide
SMILESO=C(NN=Cc1ccccc1OCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O
InChIInChI=1S/C25H19N3O5/c29-23-14-19-8-2-1-7-18(19)13-22(23)25(30)27-26-15-20-9-3-4-11-24(20)33-16-17-6-5-10-21(12-17)28(31)32/h1-15,29H,16H2,(H,27,30)
InChIKeyAXNNLBKSIUORAK-UHFFFAOYSA-N
XLogP4.80
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_acyl_naphthol(22)', '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-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3506189
N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 1497044
2-[2-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6870474
N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3875423
3-hydroxy-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 3101754
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 5008121
N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 135472388
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5016843
3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6070681
N-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3262456
N-[(Z)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126394512
3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6870532

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide (CID 5137761) is 3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide is O=C(NN=Cc1ccccc1OCc1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide?
The InChIKey is AXNNLBKSIUORAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O5/c29-23-14-19-8-2-1-7-18(19)13-22(23)25(30)27-26-15-20-9-3-4-11-24(20)33-16-17-6-5-10-21(12-17)28(31)32/h1-15,29H,16H2,(H,27,30).
What are the key properties of 3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide?
3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide has a molecular weight of 441.44 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[2-[(3-nitrophenyl)methoxy]phenyl]methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 5137761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).