N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide

C17H15ClN4O4 — CID 2293023

IUPACN-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(Cl)cc1)NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H15ClN4O4/c18-13-3-5-14(6-4-13)20-16(23)9-10-17(24)21-19-11-12-1-7-15(8-2-12)22(25)26/h1-8,11H,9-10H2,(H,20,23)(H,21,24)
InChIKeyCDEMNNJGAOQPFC-UHFFFAOYSA-N
MW374.78 g/mol
LogP3.12
Rot. Bonds7

About N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide

N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide (PubChem CID 2293023) has the molecular formula C17H15ClN4O4 and a molecular weight of 374.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide
PubChem CID2293023
Molecular FormulaC17H15ClN4O4
Molecular Weight374.78 g/mol
Exact Mass374.08
IUPAC NameN-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide
SMILESO=C(CCC(=O)Nc1ccc(Cl)cc1)NN=Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H15ClN4O4/c18-13-3-5-14(6-4-13)20-16(23)9-10-17(24)21-19-11-12-1-7-15(8-2-12)22(25)26/h1-8,11H,9-10H2,(H,20,23)(H,21,24)
InChIKeyCDEMNNJGAOQPFC-UHFFFAOYSA-N
XLogP3.12
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 53.12
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-(2,5-dichlorophenyl)-N'-[(Z)-(4-nitrophenyl)methylideneamino]butanediamide
CID 6089933
1-[(E)-(4-chlorophenyl)methylideneamino]-3-(4-nitrophenyl)urea
CID 10543618
2-(4-chloroanilino)-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 5392445
N-(4-fluorophenyl)-N'-[[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]butanediamide
CID 3635114
N-(3-chlorophenyl)-N'-[(Z)-(4-chlorophenyl)methylideneamino]butanediamide
CID 6161963
N-[4-(4-chloroanilino)-4-oxobutyl]-4-(4-nitroanilino)butanamide
CID 55990574
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 21370508
[(E)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 5338215
[(Z)-(4-nitrophenyl)methylideneamino] N-(4-chlorophenyl)carbamate
CID 5406979
N-(4-methylphenyl)-N'-[(3-nitrophenyl)methylideneamino]butanediamide
CID 3524333
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide?
The IUPAC name of N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide (CID 2293023) is N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide?
The canonical SMILES for N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide is O=C(CCC(=O)Nc1ccc(Cl)cc1)NN=Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide?
The InChIKey is CDEMNNJGAOQPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O4/c18-13-3-5-14(6-4-13)20-16(23)9-10-17(24)21-19-11-12-1-7-15(8-2-12)22(25)26/h1-8,11H,9-10H2,(H,20,23)(H,21,24).
What are the key properties of N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide?
N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide has a molecular weight of 374.78 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N'-[(4-nitrophenyl)methylideneamino]butanediamide is sourced from PubChem (CID 2293023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).