N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide

C20H17N3O4 — CID 7937122

IUPACN-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide
SMILESCOc1ccc2cc(/C(C)=N\NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2c1
InChIInChI=1S/C20H17N3O4/c1-13(15-3-4-17-12-19(27-2)10-7-16(17)11-15)21-22-20(24)14-5-8-18(9-6-14)23(25)26/h3-12H,1-2H3,(H,22,24)/b21-13-
InChIKeyVYSNJZWDNZVJQM-BKUYFWCQSA-N
MW363.37 g/mol
LogP3.91
Rot. Bonds5

About N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide

N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide (PubChem CID 7937122) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide
PubChem CID7937122
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide
SMILESCOc1ccc2cc(/C(C)=N\NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2c1
InChIInChI=1S/C20H17N3O4/c1-13(15-3-4-17-12-19(27-2)10-7-16(17)11-15)21-22-20(24)14-5-8-18(9-6-14)23(25)26/h3-12H,1-2H3,(H,22,24)/b21-13-
InChIKeyVYSNJZWDNZVJQM-BKUYFWCQSA-N
XLogP3.91
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[1-(3-methoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 4185393
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 5339753
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]pyridine-4-carboxamide
CID 6173282
N-[(Z)-1-(3-bromo-4-methoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 9014955
3-(4-methoxyphenyl)-N-[1-(4-nitrophenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 1243305
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
CID 6180512
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-4-nitrobenzamide
CID 5438350
N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 715758
N-[1-(4-methoxyphenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 4667639
N-[1-(4-nitrophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925773
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide?
The IUPAC name of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide (CID 7937122) is N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide.
What is the SMILES notation for N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide?
The canonical SMILES for N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide is COc1ccc2cc(/C(C)=N\NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2c1.
What is the InChIKey of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide?
The InChIKey is VYSNJZWDNZVJQM-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-13(15-3-4-17-12-19(27-2)10-7-16(17)11-15)21-22-20(24)14-5-8-18(9-6-14)23(25)26/h3-12H,1-2H3,(H,22,24)/b21-13-.
What are the key properties of N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide?
N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide has a molecular weight of 363.37 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]-4-nitrobenzamide is sourced from PubChem (CID 7937122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).