N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide

C15H14IN3O — CID 5376677

IUPACN-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide
SMILESC/C(=N/NC(=O)c1cccc(I)c1)c1cccc(N)c1
InChIInChI=1S/C15H14IN3O/c1-10(11-4-3-7-14(17)9-11)18-19-15(20)12-5-2-6-13(16)8-12/h2-9H,17H2,1H3,(H,19,20)/b18-10-
InChIKeyQAEDVHNADLLMQF-ZDLGFXPLSA-N
MW379.20 g/mol
LogP3.03
Rot. Bonds3

About N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide

N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide (PubChem CID 5376677) has the molecular formula C15H14IN3O and a molecular weight of 379.20 g/mol. Its IUPAC name is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide
PubChem CID5376677
Molecular FormulaC15H14IN3O
Molecular Weight379.20 g/mol
Exact Mass379.02
IUPAC NameN-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide
SMILESC/C(=N/NC(=O)c1cccc(I)c1)c1cccc(N)c1
InChIInChI=1S/C15H14IN3O/c1-10(11-4-3-7-14(17)9-11)18-19-15(20)12-5-2-6-13(16)8-12/h2-9H,17H2,1H3,(H,19,20)/b18-10-
InChIKeyQAEDVHNADLLMQF-ZDLGFXPLSA-N
XLogP3.03
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(3-aminophenyl)ethylideneamino]-4-chlorobenzamide
CID 5416580
N,N'-bis[(E)-1-(3-aminophenyl)ethylideneamino]oxamide
CID 19685958
N-[(E)-1-(3-aminophenyl)ethylideneamino]-4-(dimethylamino)benzamide
CID 5336340
3-amino-N-[(Z)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5391882
3-amino-N-[(Z)-1-thiophen-2-ylethylideneamino]benzamide
CID 39354555
N-[(E)-1-(3-aminophenyl)ethylideneamino]-3-methyl-4-nitrobenzamide
CID 19685688
N-[(E)-1-(3-aminophenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337828
N-[1-(3-aminophenyl)ethylideneamino]cyclopropanecarboxamide
CID 922383
3-bromo-N-[(E)-1-(3-bromophenyl)ethylideneamino]benzamide
CID 19685670
N-[1-(3-aminophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 4080719
N-[1-(3-aminophenyl)ethylideneamino]-2-phenylacetamide
CID 968186
N-[1-(3-aminophenyl)ethylideneamino]-2-nitrobenzamide
CID 769756

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide?
The IUPAC name of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide (CID 5376677) is N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide.
What is the SMILES notation for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide?
The canonical SMILES for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide is C/C(=N/NC(=O)c1cccc(I)c1)c1cccc(N)c1.
What is the InChIKey of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide?
The InChIKey is QAEDVHNADLLMQF-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H14IN3O/c1-10(11-4-3-7-14(17)9-11)18-19-15(20)12-5-2-6-13(16)8-12/h2-9H,17H2,1H3,(H,19,20)/b18-10-.
What are the key properties of N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide?
N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide has a molecular weight of 379.20 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-aminophenyl)ethylideneamino]-3-iodobenzamide is sourced from PubChem (CID 5376677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).