2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide

C24H20ClN6O7P — CID 6112599

IUPAC2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CP(=O)(CC(=O)N/N=C\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1)N/N=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C24H20ClN6O7P/c25-19-7-9-22(10-8-19)39(38,15-23(32)28-26-13-17-3-1-5-20(11-17)30(34)35)16-24(33)29-27-14-18-4-2-6-21(12-18)31(36)37/h1-14H,15-16H2,(H,28,32)(H,29,33)/b26-13-,27-14-
InChIKeyKMYIAMYTHPAPGZ-IFADSCNNSA-N
MW570.89 g/mol
LogP3.45
Rot. Bonds11

About 2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide

2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide (PubChem CID 6112599) has the molecular formula C24H20ClN6O7P and a molecular weight of 570.89 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
PubChem CID6112599
Molecular FormulaC24H20ClN6O7P
Molecular Weight570.89 g/mol
Exact Mass570.08
IUPAC Name2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
SMILESO=C(CP(=O)(CC(=O)N/N=C\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1)N/N=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C24H20ClN6O7P/c25-19-7-9-22(10-8-19)39(38,15-23(32)28-26-13-17-3-1-5-20(11-17)30(34)35)16-24(33)29-27-14-18-4-2-6-21(12-18)31(36)37/h1-14H,15-16H2,(H,28,32)(H,29,33)/b26-13-,27-14-
InChIKeyKMYIAMYTHPAPGZ-IFADSCNNSA-N
XLogP3.45
TPSA186.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.89
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
2-(4-chlorophenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6870633
2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5390803
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
4-[(4-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 6435601
N-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
2-(dibenzylamino)-N-[(3-nitrophenyl)methylideneamino]acetamide
CID 73385252
4-chloro-N-[3-methyl-1-[2-[(3-nitrophenyl)methylidene]hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 4683808
N-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide
CID 3282257
2-(4-iodophenoxy)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 5334791
2-(4-chloro-3,5-dimethylphenoxy)-N-[(3-nitrophenyl)methylideneamino]acetamide
CID 5230409
N-[(3-nitrophenyl)methylideneamino]-2-thiophen-2-ylacetamide
CID 929758

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide (CID 6112599) is 2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is O=C(CP(=O)(CC(=O)N/N=C\c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1)N/N=C\c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
The InChIKey is KMYIAMYTHPAPGZ-IFADSCNNSA-N. The full InChI is InChI=1S/C24H20ClN6O7P/c25-19-7-9-22(10-8-19)39(38,15-23(32)28-26-13-17-3-1-5-20(11-17)30(34)35)16-24(33)29-27-14-18-4-2-6-21(12-18)31(36)37/h1-14H,15-16H2,(H,28,32)(H,29,33)/b26-13-,27-14-.
What are the key properties of 2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide?
2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide has a molecular weight of 570.89 g/mol, XLogP of 3.45, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]phosphoryl]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6112599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).