N-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide

C23H17N3O3 — CID 3262459

IUPACN-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NN=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C23H17N3O3/c27-23(14-18-9-3-6-12-22(18)26(28)29)25-24-15-21-19-10-4-1-7-16(19)13-17-8-2-5-11-20(17)21/h1-13,15H,14H2,(H,25,27)
InChIKeyZEYCFEFOJNRJCQ-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.59
Rot. Bonds5

About N-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide

N-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide (PubChem CID 3262459) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide
PubChem CID3262459
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC NameN-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NN=Cc1c2ccccc2cc2ccccc12
InChIInChI=1S/C23H17N3O3/c27-23(14-18-9-3-6-12-22(18)26(28)29)25-24-15-21-19-10-4-1-7-16(19)13-17-8-2-5-11-20(17)21/h1-13,15H,14H2,(H,25,27)
InChIKeyZEYCFEFOJNRJCQ-UHFFFAOYSA-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-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide
CID 5338217
N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4291716
N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 3663531
N-[(E)-[3-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 126375610
N-(anthracen-9-ylmethylideneamino)-4-chloro-3-nitrobenzamide
CID 3406553
N-[(E)-anthracen-9-ylmethylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 7347003
N-[(5-methylthiophen-2-yl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4519460
2-naphthalen-1-yl-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5394055
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 137168325
N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 3955282
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(5-oxo-1,2-dihydropyrazol-3-yl)acetamide
CID 6132034
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4642031

Frequently Asked Questions

What is the IUPAC name of N-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide (CID 3262459) is N-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NN=Cc1c2ccccc2cc2ccccc12.
What is the InChIKey of N-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide?
The InChIKey is ZEYCFEFOJNRJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-23(14-18-9-3-6-12-22(18)26(28)29)25-24-15-21-19-10-4-1-7-16(19)13-17-8-2-5-11-20(17)21/h1-13,15H,14H2,(H,25,27).
What are the key properties of N-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide?
N-(anthracen-9-ylmethylideneamino)-2-(2-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-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 3262459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).