N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide

C16H15N3O4 — CID 676026

IUPACN-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide
SMILESCCOc1ccccc1C=NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O4/c1-2-23-15-10-6-3-7-12(15)11-17-18-16(20)13-8-4-5-9-14(13)19(21)22/h3-11H,2H2,1H3,(H,18,20)
InChIKeyVWVVEGBBRTVWPF-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.76
Rot. Bonds6

About N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide

N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide (PubChem CID 676026) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide
PubChem CID676026
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC NameN-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide
SMILESCCOc1ccccc1C=NNC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O4/c1-2-23-15-10-6-3-7-12(15)11-17-18-16(20)13-8-4-5-9-14(13)19(21)22/h3-11H,2H2,1H3,(H,18,20)
InChIKeyVWVVEGBBRTVWPF-UHFFFAOYSA-N
XLogP2.76
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.76
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

2-nitro-N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 54788854
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332490
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-nitrobenzamide
CID 4543105
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 2593226
4-ethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5403359
2-(2-ethoxyphenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6044087
N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 94831748
2-methyl-N-[2-[[(E)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]carbamoyl]phenyl]benzamide
CID 6875982
N-[(E)-(2-hydroxy-3-nitrophenyl)methylideneamino]-2-methoxybenzamide
CID 135589445
2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide?
The IUPAC name of N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide (CID 676026) is N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide is CCOc1ccccc1C=NNC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide?
The InChIKey is VWVVEGBBRTVWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-2-23-15-10-6-3-7-12(15)11-17-18-16(20)13-8-4-5-9-14(13)19(21)22/h3-11H,2H2,1H3,(H,18,20).
What are the key properties of N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide?
N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide has a molecular weight of 313.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide is sourced from PubChem (CID 676026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).