1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide

C22H15N3O5 — CID 5341086

IUPAC1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc2ccccc2c1O
InChIInChI=1S/C22H15N3O5/c26-21-16-6-2-1-5-14(16)9-11-18(21)22(27)24-23-13-15-10-12-20(30-15)17-7-3-4-8-19(17)25(28)29/h1-13,26H,(H,24,27)/b23-13+
InChIKeyDXHVMXKJCDRIOD-YDZHTSKRSA-N
MW401.38 g/mol
LogP4.48
Rot. Bonds5

About 1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide

1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide (PubChem CID 5341086) has the molecular formula C22H15N3O5 and a molecular weight of 401.38 g/mol. Its IUPAC name is 1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide
PubChem CID5341086
Molecular FormulaC22H15N3O5
Molecular Weight401.38 g/mol
Exact Mass401.10
IUPAC Name1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide
SMILESO=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc2ccccc2c1O
InChIInChI=1S/C22H15N3O5/c26-21-16-6-2-1-5-14(16)9-11-18(21)22(27)24-23-13-15-10-12-20(30-15)17-7-3-4-8-19(17)25(28)29/h1-13,26H,(H,24,27)/b23-13+
InChIKeyDXHVMXKJCDRIOD-YDZHTSKRSA-N
XLogP4.48
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 54.48
H-Bond Donors ≤ 52
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

2-chloro-4-methyl-N-[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 7373569
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1-hydroxynaphthalene-2-carboxamide
CID 3105317
N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide
CID 136670478
2-methyl-N-[(Z)-[5-(2-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126171058
2-[5-[(Z)-[(2-hydroxy-3-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]-5-nitrobenzoic acid
CID 126085997
N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-1-carboxamide
CID 126183671
N-(benzylideneamino)-1-hydroxynaphthalene-2-carboxamide
CID 4115727
N-[(Z)-[5-(5-chloro-2-methoxyphenyl)furan-2-yl]methylideneamino]-2-hydroxy-3-nitrobenzamide
CID 126091189
N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]-9H-xanthene-9-carboxamide
CID 53371403
2-hydroxy-4-methoxy-N-[(Z)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 126395548
N-[(E)-[5-(4-bromo-2-nitrophenyl)furan-2-yl]methylideneamino]-2-methylbenzamide
CID 19060929
[(Z)-(5-naphthalen-1-ylfuran-2-yl)methylideneamino]urea
CID 30105868

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide?
The IUPAC name of 1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide (CID 5341086) is 1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide?
The canonical SMILES for 1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide is O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc2ccccc2c1O.
What is the InChIKey of 1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide?
The InChIKey is DXHVMXKJCDRIOD-YDZHTSKRSA-N. The full InChI is InChI=1S/C22H15N3O5/c26-21-16-6-2-1-5-14(16)9-11-18(21)22(27)24-23-13-15-10-12-20(30-15)17-7-3-4-8-19(17)25(28)29/h1-13,26H,(H,24,27)/b23-13+.
What are the key properties of 1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide?
1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide has a molecular weight of 401.38 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide is sourced from PubChem (CID 5341086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).