N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide

C18H13N3O4 — CID 136670478

IUPACN-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide
SMILESO=C(N/N=C\c1ccc2ccccc2c1O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H13N3O4/c22-17-13(10-9-12-5-1-2-6-14(12)17)11-19-20-18(23)15-7-3-4-8-16(15)21(24)25/h1-11,22H,(H,20,23)/b19-11-
InChIKeySQFYLIMYEDBQJY-ODLFYWEKSA-N
MW335.32 g/mol
LogP3.22
Rot. Bonds4

About N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide

N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide (PubChem CID 136670478) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide
PubChem CID136670478
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC NameN-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide
SMILESO=C(N/N=C\c1ccc2ccccc2c1O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H13N3O4/c22-17-13(10-9-12-5-1-2-6-14(12)17)11-19-20-18(23)15-7-3-4-8-16(15)21(24)25/h1-11,22H,(H,20,23)/b19-11-
InChIKeySQFYLIMYEDBQJY-ODLFYWEKSA-N
XLogP3.22
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-nitrobenzamide
CID 3472596
1-hydroxy-N-[(E)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-2-carboxamide
CID 5341086
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-2-nitrobenzamide
CID 136858298
3-hydroxy-N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6870532
2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 4670148
2-N,5-N-bis[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 135837519
N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 676026
2,4-dichloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 136750620
4-fluoro-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4293070
3,4,5-trihydroxy-N-[(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 4626466

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide?
The IUPAC name of N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide (CID 136670478) is N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide.
What is the SMILES notation for N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide?
The canonical SMILES for N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide is O=C(N/N=C\c1ccc2ccccc2c1O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide?
The InChIKey is SQFYLIMYEDBQJY-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H13N3O4/c22-17-13(10-9-12-5-1-2-6-14(12)17)11-19-20-18(23)15-7-3-4-8-16(15)21(24)25/h1-11,22H,(H,20,23)/b19-11-.
What are the key properties of N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide?
N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide has a molecular weight of 335.32 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]-2-nitrobenzamide is sourced from PubChem (CID 136670478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).