N-(4-ethylphenyl)-N'-[(E)-(3-iodophenyl)methylideneamino]oxamide

C17H16IN3O2 — CID 56695207

IUPACN-(4-ethylphenyl)-N'-[(E)-(3-iodophenyl)methylideneamino]oxamide
SMILESCCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(I)c2)cc1
InChIInChI=1S/C17H16IN3O2/c1-2-12-6-8-15(9-7-12)20-16(22)17(23)21-19-11-13-4-3-5-14(18)10-13/h3-11H,2H2,1H3,(H,20,22)(H,21,23)/b19-11+
InChIKeyMHANKFTXLPFHPR-YBFXNURJSA-N
MW421.24 g/mol
LogP2.94
Rot. Bonds4

About N-(4-ethylphenyl)-N'-[(E)-(3-iodophenyl)methylideneamino]oxamide

N-(4-ethylphenyl)-N'-[(E)-(3-iodophenyl)methylideneamino]oxamide (PubChem CID 56695207) has the molecular formula C17H16IN3O2 and a molecular weight of 421.24 g/mol. Its IUPAC name is N-(4-ethylphenyl)-N'-[(E)-(3-iodophenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-N'-[(E)-(3-iodophenyl)methylideneamino]oxamide
PubChem CID56695207
Molecular FormulaC17H16IN3O2
Molecular Weight421.24 g/mol
Exact Mass421.03
IUPAC NameN-(4-ethylphenyl)-N'-[(E)-(3-iodophenyl)methylideneamino]oxamide
SMILESCCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(I)c2)cc1
InChIInChI=1S/C17H16IN3O2/c1-2-12-6-8-15(9-7-12)20-16(22)17(23)21-19-11-13-4-3-5-14(18)10-13/h3-11H,2H2,1H3,(H,20,22)(H,21,23)/b19-11+
InChIKeyMHANKFTXLPFHPR-YBFXNURJSA-N
XLogP2.94
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.24
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-(4-ethylphenyl)-N'-[(3-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3300834
ethyl 2-[2-[(3-iodophenyl)methylidene]hydrazinyl]-2-oxoacetate
CID 5039258
N'-[(Z)-[3-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-ethylphenyl)oxamide
CID 126165869
N-(4-ethylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813977
5-[(Z)-[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxybenzoic acid
CID 8897925
N-(4-ethylphenyl)-N'-(thiophen-2-ylmethylideneamino)oxamide
CID 3859686
N-(4-ethylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3862743
N-(4-ethylphenyl)-N'-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxamide
CID 8989089
[4-[[[2-(4-ethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-phenylprop-2-enoate
CID 3669343
N-(4-butoxyphenyl)-N'-[(Z)-(3-hydroxyphenyl)methylideneamino]oxamide
CID 126259138
N-(4-ethylphenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136911866
N-(3-fluorophenyl)-N'-[(4-iodophenyl)methylideneamino]oxamide
CID 4570799

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-N'-[(E)-(3-iodophenyl)methylideneamino]oxamide?
The IUPAC name of N-(4-ethylphenyl)-N'-[(E)-(3-iodophenyl)methylideneamino]oxamide (CID 56695207) is N-(4-ethylphenyl)-N'-[(E)-(3-iodophenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-ethylphenyl)-N'-[(E)-(3-iodophenyl)methylideneamino]oxamide?
The canonical SMILES for N-(4-ethylphenyl)-N'-[(E)-(3-iodophenyl)methylideneamino]oxamide is CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(I)c2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-N'-[(E)-(3-iodophenyl)methylideneamino]oxamide?
The InChIKey is MHANKFTXLPFHPR-YBFXNURJSA-N. The full InChI is InChI=1S/C17H16IN3O2/c1-2-12-6-8-15(9-7-12)20-16(22)17(23)21-19-11-13-4-3-5-14(18)10-13/h3-11H,2H2,1H3,(H,20,22)(H,21,23)/b19-11+.
What are the key properties of N-(4-ethylphenyl)-N'-[(E)-(3-iodophenyl)methylideneamino]oxamide?
N-(4-ethylphenyl)-N'-[(E)-(3-iodophenyl)methylideneamino]oxamide has a molecular weight of 421.24 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-N'-[(E)-(3-iodophenyl)methylideneamino]oxamide is sourced from PubChem (CID 56695207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).