N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide

C15H12ClN3O3 — CID 5048293

IUPACN-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3O3/c16-13-3-1-2-12(8-13)10-17-18-15(20)9-11-4-6-14(7-5-11)19(21)22/h1-8,10H,9H2,(H,18,20)
InChIKeyGYFJGVTWBVPTKS-UHFFFAOYSA-N
MW317.73 g/mol
LogP2.94
Rot. Bonds5

About N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide

N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide (PubChem CID 5048293) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
PubChem CID5048293
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC NameN-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1cccc(Cl)c1
InChIInChI=1S/C15H12ClN3O3/c16-13-3-1-2-12(8-13)10-17-18-15(20)9-11-4-6-14(7-5-11)19(21)22/h1-8,10H,9H2,(H,18,20)
InChIKeyGYFJGVTWBVPTKS-UHFFFAOYSA-N
XLogP2.94
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(4-chlorophenyl)-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
CID 6875923
N-[(3-bromophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 1353406
2-(4-aminophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 110515234
2-(4-nitrophenyl)-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4525378
N,N'-bis[(3-chlorophenyl)methylideneamino]propanediamide
CID 3386676
2-(3-chlorophenoxy)-N-[(4-nitrophenyl)methylideneamino]acetamide
CID 7039861
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(4-nitrophenyl)acetamide
CID 21370508
4-bromo-N-[(3-chlorophenyl)methylideneamino]-1-[(4-nitrophenyl)methyl]pyrazole-3-carboxamide
CID 1271971
[3-[[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 1246148
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
2-(4-chloroanilino)-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 5390803
N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-nitrophenyl)acetamide
CID 5338217

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide?
The IUPAC name of N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide (CID 5048293) is N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)NN=Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide?
The InChIKey is GYFJGVTWBVPTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c16-13-3-1-2-12(8-13)10-17-18-15(20)9-11-4-6-14(7-5-11)19(21)22/h1-8,10H,9H2,(H,18,20).
What are the key properties of N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide?
N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide has a molecular weight of 317.73 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methylideneamino]-2-(4-nitrophenyl)acetamide is sourced from PubChem (CID 5048293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).