N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)acetamide

C19H15N3O4 — CID 135478380

IUPACN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H15N3O4/c23-18-10-7-14-3-1-2-4-16(14)17(18)12-20-21-19(24)11-13-5-8-15(9-6-13)22(25)26/h1-10,12,23H,11H2,(H,21,24)/b20-12+
InChIKeyZSWCNDIWZUXOFA-UDWIEESQSA-N
MW349.35 g/mol
LogP3.15
Rot. Bonds5

About N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)acetamide

N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)acetamide (PubChem CID 135478380) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
PubChem CID135478380
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC NameN-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1c(O)ccc2ccccc12
InChIInChI=1S/C19H15N3O4/c23-18-10-7-14-3-1-2-4-16(14)17(18)12-20-21-19(24)11-13-5-8-15(9-6-13)22(25)26/h1-10,12,23H,11H2,(H,21,24)/b20-12+
InChIKeyZSWCNDIWZUXOFA-UDWIEESQSA-N
XLogP3.15
TPSA104.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 53.15
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)acetamide (CID 135478380) is N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)acetamide?
The InChIKey is ZSWCNDIWZUXOFA-UDWIEESQSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-18-10-7-14-3-1-2-4-16(14)17(18)12-20-21-19(24)11-13-5-8-15(9-6-13)22(25)26/h1-10,12,23H,11H2,(H,21,24)/b20-12+.
What are the key properties of N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)acetamide?
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)acetamide has a molecular weight of 349.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 135478380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).