N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide

C14H9ClIN3O3 — CID 1123704

IUPACN-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide
SMILESO=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1I
InChIInChI=1S/C14H9ClIN3O3/c15-11-6-5-9(7-13(11)19(21)22)8-17-18-14(20)10-3-1-2-4-12(10)16/h1-8H,(H,18,20)
InChIKeyAADYLAGDOZMLFZ-UHFFFAOYSA-N
MW429.60 g/mol
LogP3.62
Rot. Bonds4

About N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide

N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide (PubChem CID 1123704) has the molecular formula C14H9ClIN3O3 and a molecular weight of 429.60 g/mol. Its IUPAC name is N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide.

Molecular Properties

Compound NameN-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide
PubChem CID1123704
Molecular FormulaC14H9ClIN3O3
Molecular Weight429.60 g/mol
Exact Mass428.94
IUPAC NameN-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide
SMILESO=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1I
InChIInChI=1S/C14H9ClIN3O3/c15-11-6-5-9(7-13(11)19(21)22)8-17-18-14(20)10-3-1-2-4-12(10)16/h1-8H,(H,18,20)
InChIKeyAADYLAGDOZMLFZ-UHFFFAOYSA-N
XLogP3.62
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.60
LogP ≤ 53.62
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

N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5431937
2-chloro-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135696942
N-(4-chloro-3-nitrophenyl)-2-iodobenzamide
CID 3343277
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2,4-dihydroxybenzamide
CID 764254
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-propoxybenzamide
CID 4931391
3-chloro-N-[(4-chloro-3-nitrophenyl)methylideneamino]benzamide
CID 693438
2-chloro-N-[(E)-[4-(methylamino)-3-nitrophenyl]methylideneamino]benzamide
CID 42992282
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]furan-2-carboxamide
CID 6878496
2-bromo-N-[1-[2-[(4-chloro-3-nitrophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 4544102
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 16959593
2-nitro-N-[(E)-[4-[(E)-[(2-nitrobenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 6870006

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide?
The IUPAC name of N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide (CID 1123704) is N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide.
What is the SMILES notation for N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide?
The canonical SMILES for N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide is O=C(NN=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1I.
What is the InChIKey of N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide?
The InChIKey is AADYLAGDOZMLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClIN3O3/c15-11-6-5-9(7-13(11)19(21)22)8-17-18-14(20)10-3-1-2-4-12(10)16/h1-8H,(H,18,20).
What are the key properties of N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide?
N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide has a molecular weight of 429.60 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-nitrophenyl)methylideneamino]-2-iodobenzamide is sourced from PubChem (CID 1123704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).