N-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide

C17H14Cl2N4O4 — CID 6089933

IUPACN-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1cc(Cl)ccc1Cl)N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H14Cl2N4O4/c18-12-3-6-14(19)15(9-12)21-16(24)7-8-17(25)22-20-10-11-1-4-13(5-2-11)23(26)27/h1-6,9-10H,7-8H2,(H,21,24)(H,22,25)/b20-10-
InChIKeyIYYRCLSRGCHABP-JMIUGGIZSA-N
MW409.23 g/mol
LogP3.77
Rot. Bonds7

About N-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide

N-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide (PubChem CID 6089933) has the molecular formula C17H14Cl2N4O4 and a molecular weight of 409.23 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide
PubChem CID6089933
Molecular FormulaC17H14Cl2N4O4
Molecular Weight409.23 g/mol
Exact Mass408.04
IUPAC NameN-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1cc(Cl)ccc1Cl)N/N=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H14Cl2N4O4/c18-12-3-6-14(19)15(9-12)21-16(24)7-8-17(25)22-20-10-11-1-4-13(5-2-11)23(26)27/h1-6,9-10H,7-8H2,(H,21,24)(H,22,25)/b20-10-
InChIKeyIYYRCLSRGCHABP-JMIUGGIZSA-N
XLogP3.77
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 53.77
H-Bond Donors ≤ 52
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-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide
CID 2293023
N'-[(4-bromophenyl)methylideneamino]-N-(2,5-dichlorophenyl)butanediamide
CID 3944050
N-(2,4-dichlorophenyl)-N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]butanediamide
CID 135560331
2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 5392445
1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea
CID 10543618
N'-(2,5-dichlorophenyl)-N-(4-nitrophenyl)oxamide
CID 108500936
N-(2,5-dichlorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 26086204
N-(2,5-dichlorophenyl)-2-(4-nitrophenoxy)acetamide
CID 2632332
2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 7039861
N-(2-chlorophenyl)-N'-[(4-methyl-3-nitrophenyl)methylideneamino]butanediamide
CID 4679765
N-(2-chloro-5-nitrophenyl)-4-hydroxybutanamide
CID 79200872
N-(2,4-dichlorophenyl)-N'-[[4-(dimethylamino)phenyl]methylideneamino]butanediamide
CID 5229962

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide?
The IUPAC name of N-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide (CID 6089933) is N-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide is O=C(CCC(=O)Nc1cc(Cl)ccc1Cl)N/N=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide?
The InChIKey is IYYRCLSRGCHABP-JMIUGGIZSA-N. The full InChI is InChI=1S/C17H14Cl2N4O4/c18-12-3-6-14(19)15(9-12)21-16(24)7-8-17(25)22-20-10-11-1-4-13(5-2-11)23(26)27/h1-6,9-10H,7-8H2,(H,21,24)(H,22,25)/b20-10-.
What are the key properties of N-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide?
N-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide has a molecular weight of 409.23 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide is sourced from PubChem (CID 6089933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).