N-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide

C16H12Cl2N4O4 — CID 3282257

IUPACN-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1cccc(Cl)c1Cl)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12Cl2N4O4/c17-12-5-2-6-13(16(12)18)20-14(23)8-15(24)21-19-9-10-3-1-4-11(7-10)22(25)26/h1-7,9H,8H2,(H,20,23)(H,21,24)
InChIKeyPICSVGDMDJSLLF-UHFFFAOYSA-N
MW395.20 g/mol
LogP3.38
Rot. Bonds6

About N-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide

N-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide (PubChem CID 3282257) has the molecular formula C16H12Cl2N4O4 and a molecular weight of 395.20 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide
PubChem CID3282257
Molecular FormulaC16H12Cl2N4O4
Molecular Weight395.20 g/mol
Exact Mass394.02
IUPAC NameN-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide
SMILESO=C(CC(=O)Nc1cccc(Cl)c1Cl)NN=Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12Cl2N4O4/c17-12-5-2-6-13(16(12)18)20-14(23)8-15(24)21-19-9-10-3-1-4-11(7-10)22(25)26/h1-7,9H,8H2,(H,20,23)(H,21,24)
InChIKeyPICSVGDMDJSLLF-UHFFFAOYSA-N
XLogP3.38
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.20
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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-(2,3-dichlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]propanediamide
CID 3977265
N-(2,3-dichlorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]propanediamide
CID 4666995
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
2-[(2-chlorobenzoyl)amino]-N-[(Z)-(3-nitrophenyl)methylideneamino]benzamide
CID 94849409
2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
N-naphthalen-1-yl-N'-[(3-nitrophenyl)methylideneamino]butanediamide
CID 4596802
N-(2,3-dichlorophenyl)-N'-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]propanediamide
CID 5022828
N-[(E)-(3-nitrophenyl)methylideneamino]butanamide
CID 19629163
2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5390803
N'-[(4-tert-butylphenyl)methylideneamino]-N-(2,3-dichlorophenyl)propanediamide
CID 5014358
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 28588575
N-(2,3-dichlorophenyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 3379580

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide?
The IUPAC name of N-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide (CID 3282257) is N-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide is O=C(CC(=O)Nc1cccc(Cl)c1Cl)NN=Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide?
The InChIKey is PICSVGDMDJSLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4O4/c17-12-5-2-6-13(16(12)18)20-14(23)8-15(24)21-19-9-10-3-1-4-11(7-10)22(25)26/h1-7,9H,8H2,(H,20,23)(H,21,24).
What are the key properties of N-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide?
N-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide has a molecular weight of 395.20 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]propanediamide is sourced from PubChem (CID 3282257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).