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

C15H12ClN3O3 — CID 4291716

IUPACN-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NN=Cc1ccccc1Cl
InChIInChI=1S/C15H12ClN3O3/c16-13-7-3-1-6-12(13)10-17-18-15(20)9-11-5-2-4-8-14(11)19(21)22/h1-8,10H,9H2,(H,18,20)
InChIKeyJOPVMWLZPANWKI-UHFFFAOYSA-N
MW317.73 g/mol
LogP2.94
Rot. Bonds5

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

N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide (PubChem CID 4291716) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
PubChem CID4291716
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
SMILESO=C(Cc1ccccc1[N+](=O)[O-])NN=Cc1ccccc1Cl
InChIInChI=1S/C15H12ClN3O3/c16-13-7-3-1-6-12(13)10-17-18-15(20)9-11-5-2-4-8-14(11)19(21)22/h1-8,10H,9H2,(H,18,20)
InChIKeyJOPVMWLZPANWKI-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

N-[(E)-[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 126376855
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 6894812
N-[(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 796751
N-[[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-nitrophenyl)acetamide
CID 3955282
N-[(4-methylphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 3663531
N-[(5-methylthiophen-2-yl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4519460
N-[(E)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 137168325
2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 958366
2-hydroxy-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 5414501
N-[(3,5-dichloro-4-phenylmethoxyphenyl)methylideneamino]-2-(2-nitrophenyl)acetamide
CID 4642031
2-(2-nitrophenyl)-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 3403586
N-(anthracen-9-ylmethylideneamino)-2-(2-nitrophenyl)acetamide
CID 3262459

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide (CID 4291716) is N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide is O=C(Cc1ccccc1[N+](=O)[O-])NN=Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide?
The InChIKey is JOPVMWLZPANWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c16-13-7-3-1-6-12(13)10-17-18-15(20)9-11-5-2-4-8-14(11)19(21)22/h1-8,10H,9H2,(H,18,20).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide?
N-[(2-chlorophenyl)methylideneamino]-2-(2-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-[(2-chlorophenyl)methylideneamino]-2-(2-nitrophenyl)acetamide is sourced from PubChem (CID 4291716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).