N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide

C18H17ClN4O4 — CID 5254130

IUPACN-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
SMILESCC(=NNC(=O)CCC(=O)Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H17ClN4O4/c1-12(13-6-8-14(9-7-13)23(26)27)21-22-18(25)11-10-17(24)20-16-5-3-2-4-15(16)19/h2-9H,10-11H2,1H3,(H,20,24)(H,22,25)
InChIKeyBUFQCPPPVCXLIT-UHFFFAOYSA-N
MW388.81 g/mol
LogP3.51
Rot. Bonds7

About N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide

N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide (PubChem CID 5254130) has the molecular formula C18H17ClN4O4 and a molecular weight of 388.81 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
PubChem CID5254130
Molecular FormulaC18H17ClN4O4
Molecular Weight388.81 g/mol
Exact Mass388.09
IUPAC NameN-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
SMILESCC(=NNC(=O)CCC(=O)Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H17ClN4O4/c1-12(13-6-8-14(9-7-13)23(26)27)21-22-18(25)11-10-17(24)20-16-5-3-2-4-15(16)19/h2-9H,10-11H2,1H3,(H,20,24)(H,22,25)
InChIKeyBUFQCPPPVCXLIT-UHFFFAOYSA-N
XLogP3.51
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.81
LogP ≤ 53.51
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'-[1-(4-aminophenyl)ethylideneamino]-N-(2-chlorophenyl)butanediamide
CID 3419515
N-(4-nitrophenyl)-N'-[(Z)-1-phenylethylideneamino]butanediamide
CID 6020436
N-(2,4-dimethylphenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 3352206
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide
CID 4631339
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide
CID 4631654
N-(2-chlorophenyl)-3-(4-nitrophenyl)-3-oxopropanamide
CID 688188
N-(2-chlorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]butanediamide
CID 135418705
N'-[1-(4-chlorophenyl)ethylideneamino]-N-(2,4-dichlorophenyl)butanediamide
CID 4659589
N-(4-ethoxyphenyl)-N'-[(Z)-1-(4-nitrophenyl)ethylideneamino]butanediamide
CID 6067598
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-4-nitrobenzamide
CID 4875964
N-(2-chlorophenyl)-N'-(3,3-dimethylbutan-2-ylideneamino)butanediamide
CID 4307619
N'-[1-(3-nitrophenyl)ethylideneamino]-N-phenylbutanediamide
CID 3495200

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide?
The IUPAC name of N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide (CID 5254130) is N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide.
What is the SMILES notation for N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide?
The canonical SMILES for N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide is CC(=NNC(=O)CCC(=O)Nc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide?
The InChIKey is BUFQCPPPVCXLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4/c1-12(13-6-8-14(9-7-13)23(26)27)21-22-18(25)11-10-17(24)20-16-5-3-2-4-15(16)19/h2-9H,10-11H2,1H3,(H,20,24)(H,22,25).
What are the key properties of N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide?
N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide has a molecular weight of 388.81 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N'-[1-(4-nitrophenyl)ethylideneamino]butanediamide is sourced from PubChem (CID 5254130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).