2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide

C18H14N4O4 — CID 9467684

IUPAC2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
SMILESN#Cc1ccccc1OCC(=O)N/N=C\C=C\c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H14N4O4/c19-12-15-7-2-4-10-17(15)26-13-18(23)21-20-11-5-8-14-6-1-3-9-16(14)22(24)25/h1-11H,13H2,(H,21,23)/b8-5+,20-11-
InChIKeyXWDKIBCWPYBNAV-NZCXTDTASA-N
MW350.33 g/mol
LogP2.66
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide

2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide (PubChem CID 9467684) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
PubChem CID9467684
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
SMILESN#Cc1ccccc1OCC(=O)N/N=C\C=C\c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H14N4O4/c19-12-15-7-2-4-10-17(15)26-13-18(23)21-20-11-5-8-14-6-1-3-9-16(14)22(24)25/h1-11H,13H2,(H,21,23)/b8-5+,20-11-
InChIKeyXWDKIBCWPYBNAV-NZCXTDTASA-N
XLogP2.66
TPSA117.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-cyanophenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 9467550
2-(2-cyanophenoxy)-N-[(5-hydroxy-2-nitrophenyl)methylideneamino]acetamide
CID 4079853
2-(2-cyanophenoxy)-N-[(E)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]acetamide
CID 135419880
2-(2-cyanophenoxy)-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]acetamide
CID 3316109
N-(benzylideneamino)-2-(2-cyanophenoxy)acetamide
CID 789568
N-[(Z)-[(Z)-3-(2-nitrophenyl)prop-2-enylidene]amino]pentanamide
CID 92534356
2-(2-ethylphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 19182341
2-(2-cyanophenoxy)-N-[(E)-[3-[(E)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 42995701
2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 958366
2-(2-ethoxyphenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6044087
2-(2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 966530
2-(4-cyanophenoxy)-N-[3-(2-methoxyphenyl)prop-2-enylideneamino]acetamide
CID 6823301

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide (CID 9467684) is 2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide is N#Cc1ccccc1OCC(=O)N/N=C\C=C\c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide?
The InChIKey is XWDKIBCWPYBNAV-NZCXTDTASA-N. The full InChI is InChI=1S/C18H14N4O4/c19-12-15-7-2-4-10-17(15)26-13-18(23)21-20-11-5-8-14-6-1-3-9-16(14)22(24)25/h1-11H,13H2,(H,21,23)/b8-5+,20-11-.
What are the key properties of 2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide?
2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide has a molecular weight of 350.33 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide is sourced from PubChem (CID 9467684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).