N'-(9-anthrylmethylene)-2-(4-nitrophenyl)acetohydrazide

C23H17N3O3 — CID 5338217

IUPACN-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide
SMILESC1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/NC(=O)CC4=CC=C(C=C4)[N+](=O)[O-]
InChIInChI=1S/C23H17N3O3/c27-23(13-16-9-11-19(12-10-16)26(28)29)25-24-15-22-20-7-3-1-5-17(20)14-18-6-2-4-8-21(18)22/h1-12,14-15H,13H2,(H,25,27)/b24-15+
InChIKeyFOMNFCASZRXNQF-BUVRLJJBSA-N
MW383.40 g/mol
LogP5.10
Rot. Bonds4

About N'-(9-anthrylmethylene)-2-(4-nitrophenyl)acetohydrazide

N'-(9-anthrylmethylene)-2-(4-nitrophenyl)acetohydrazide (PubChem CID 5338217) has the molecular formula C23H17N3O3 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN'-(9-anthrylmethylene)-2-(4-nitrophenyl)acetohydrazide
PubChem CID5338217
Molecular FormulaC23H17N3O3
Molecular Weight383.40 g/mol
Exact Mass383.13
IUPAC NameN-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide
SMILESC1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/NC(=O)CC4=CC=C(C=C4)[N+](=O)[O-]
InChIInChI=1S/C23H17N3O3/c27-23(13-16-9-11-19(12-10-16)26(28)29)25-24-15-22-20-7-3-1-5-17(20)14-18-6-2-4-8-21(18)22/h1-12,14-15H,13H2,(H,25,27)/b24-15+
InChIKeyFOMNFCASZRXNQF-BUVRLJJBSA-N
XLogP5.10
TPSA87.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity587

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.40
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(9-anthrylmethylene)-2-(4-nitrophenyl)acetohydrazide?
The IUPAC name of N'-(9-anthrylmethylene)-2-(4-nitrophenyl)acetohydrazide (CID 5338217) is N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N'-(9-anthrylmethylene)-2-(4-nitrophenyl)acetohydrazide?
The canonical SMILES for N'-(9-anthrylmethylene)-2-(4-nitrophenyl)acetohydrazide is C1=CC=C2C(=C1)C=C3C=CC=CC3=C2/C=N/NC(=O)CC4=CC=C(C=C4)[N+](=O)[O-].
What is the InChIKey of N'-(9-anthrylmethylene)-2-(4-nitrophenyl)acetohydrazide?
The InChIKey is FOMNFCASZRXNQF-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-23(13-16-9-11-19(12-10-16)26(28)29)25-24-15-22-20-7-3-1-5-17(20)14-18-6-2-4-8-21(18)22/h1-12,14-15H,13H2,(H,25,27)/b24-15+.
What are the key properties of N'-(9-anthrylmethylene)-2-(4-nitrophenyl)acetohydrazide?
N'-(9-anthrylmethylene)-2-(4-nitrophenyl)acetohydrazide has a molecular weight of 383.40 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(9-anthrylmethylene)-2-(4-nitrophenyl)acetohydrazide is sourced from PubChem (CID 5338217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).