N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide

C20H17N3O3 — CID 5201296

IUPACN-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide
SMILESCC(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H17N3O3/c1-14(17-9-8-16-4-2-3-5-18(16)13-17)21-22-20(24)12-15-6-10-19(11-7-15)23(25)26/h2-11,13H,12H2,1H3,(H,22,24)
InChIKeyBCXNAMVWRWBOHT-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.83
Rot. Bonds5

About N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide

N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide (PubChem CID 5201296) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide
PubChem CID5201296
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide
SMILESCC(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1
InChIInChI=1S/C20H17N3O3/c1-14(17-9-8-16-4-2-3-5-18(16)13-17)21-22-20(24)12-15-6-10-19(11-7-15)23(25)26/h2-11,13H,12H2,1H3,(H,22,24)
InChIKeyBCXNAMVWRWBOHT-UHFFFAOYSA-N
XLogP3.83
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.83
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'}

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Related Compounds

2-(4-ethylphenyl)-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]acetamide
CID 126369200
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674
N-[1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 5093411
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 6268412
2,2,2-trifluoro-N-[4-[C-methyl-N-[[2-(4-nitrophenyl)acetyl]amino]carbonimidoyl]phenyl]acetamide
CID 3429215
N-[(Z)-1-(4-methoxy-3-nitrophenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 126338124
2,2,2-trifluoro-N-[4-[(E)-C-methyl-N-[[2-(4-nitrophenyl)acetyl]amino]carbonimidoyl]phenyl]acetamide
CID 7114942
N-(1-naphthalen-2-ylethylideneamino)-2-thiophen-2-ylacetamide
CID 951064
2-(3,4-dimethylphenyl)-N-[1-(3-nitrophenyl)ethylideneamino]acetamide
CID 4014223
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide
CID 7937122
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-(4-nitrophenyl)acetamide
CID 135736270

Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide (CID 5201296) is N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide is CC(=NNC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide?
The InChIKey is BCXNAMVWRWBOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-14(17-9-8-16-4-2-3-5-18(16)13-17)21-22-20(24)12-15-6-10-19(11-7-15)23(25)26/h2-11,13H,12H2,1H3,(H,22,24).
What are the key properties of N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide?
N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide has a molecular weight of 347.37 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-2-ylethylideneamino)-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 5201296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).