N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide

C23H17N3O3 — CID 5338217

IUPACN-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1c2ccccc2cc2ccccc12
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
MW383.41 g/mol
LogP4.59
Rot. Bonds5

About N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide

N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide (PubChem CID 5338217) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide
PubChem CID5338217
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC NameN-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1c2ccccc2cc2ccccc12
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
XLogP4.59
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.59
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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Related Compounds

N-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide
CID 3262459
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrobenzoyl)amino]benzamide
CID 126005035
N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 1353406
N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 5048293
2-(4-nitrophenyl)-N-(2-phenylethylideneamino)acetamide
CID 3396450
N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 7347003
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055
N-[[1-[(3,4-dichlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 3388547
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 6132034
4-nitro-2-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
CID 6955397
N-[(1-benzylindol-3-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 1049161
2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 110515234

Frequently Asked Questions

What is the IUPAC name of N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide (CID 5338217) is N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide?
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-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide?
N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide has a molecular weight of 383.41 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 5338217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).