3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide

C14H10IN3O3 — CID 5332346

IUPAC3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cccc(I)c1
InChIInChI=1S/C14H10IN3O3/c15-12-6-3-5-10(8-12)14(19)17-16-9-11-4-1-2-7-13(11)18(20)21/h1-9H,(H,17,19)/b16-9+
InChIKeyOOACEDHEZDMSKC-CXUHLZMHSA-N
MW395.16 g/mol
LogP2.96
Rot. Bonds4

About 3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide

3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide (PubChem CID 5332346) has the molecular formula C14H10IN3O3 and a molecular weight of 395.16 g/mol. Its IUPAC name is 3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
PubChem CID5332346
Molecular FormulaC14H10IN3O3
Molecular Weight395.16 g/mol
Exact Mass394.98
IUPAC Name3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cccc(I)c1
InChIInChI=1S/C14H10IN3O3/c15-12-6-3-5-10(8-12)14(19)17-16-9-11-4-1-2-7-13(11)18(20)21/h1-9H,(H,17,19)/b16-9+
InChIKeyOOACEDHEZDMSKC-CXUHLZMHSA-N
XLogP2.96
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.16
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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

3-iodo-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]benzamide
CID 6868984
N-[(E)-(2-nitrophenyl)methylideneamino]naphthalene-2-carboxamide
CID 6872935
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodobenzamide
CID 5435276
N-[(4,5-dimethoxy-2-nitrophenyl)methylideneamino]-3-iodobenzamide
CID 4042622
3-iodo-4-methoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 6117441
N-[(E)-(2-nitrophenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6907887
3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 41290513
N-[(Z)-(2-nitrophenyl)methylideneamino]quinoline-6-carboxamide
CID 155522498
N-[(2-nitrophenyl)methylideneamino]-4-sulfamoylbenzamide
CID 6737093
3,4,5-trimethoxy-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide
CID 6875972
3,4,5-trimethoxy-N-[(Z)-(2-nitrophenyl)methylideneamino]benzamide
CID 5435097
3-bromo-N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135905938

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide?
The IUPAC name of 3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide (CID 5332346) is 3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide?
The canonical SMILES for 3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide is O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide?
The InChIKey is OOACEDHEZDMSKC-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H10IN3O3/c15-12-6-3-5-10(8-12)14(19)17-16-9-11-4-1-2-7-13(11)18(20)21/h1-9H,(H,17,19)/b16-9+.
What are the key properties of 3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide?
3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide has a molecular weight of 395.16 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[(E)-(2-nitrophenyl)methylideneamino]benzamide is sourced from PubChem (CID 5332346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).