N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-3-iodobenzamide;oxalic acid

C19H19IN2O7 — CID 171151393

IUPACN-[1-(2,4-dimethoxyphenyl)ethylideneamino]-3-iodobenzamide;oxalic acid
SMILESCOc1ccc(C(C)=NNC(=O)c2cccc(I)c2)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H17IN2O3.C2H2O4/c1-11(15-8-7-14(22-2)10-16(15)23-3)19-20-17(21)12-5-4-6-13(18)9-12;3-1(4)2(5)6/h4-10H,1-3H3,(H,20,21);(H,3,4)(H,5,6)
InChIKeyGBFOETITPKIMES-UHFFFAOYSA-N
MW514.27 g/mol
LogP2.62
Rot. Bonds5

About N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-3-iodobenzamide;oxalic acid

N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-3-iodobenzamide;oxalic acid (PubChem CID 171151393) has the molecular formula C19H19IN2O7 and a molecular weight of 514.27 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-3-iodobenzamide;oxalic acid.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethylideneamino]-3-iodobenzamide;oxalic acid
PubChem CID171151393
Molecular FormulaC19H19IN2O7
Molecular Weight514.27 g/mol
Exact Mass514.02
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethylideneamino]-3-iodobenzamide;oxalic acid
SMILESCOc1ccc(C(C)=NNC(=O)c2cccc(I)c2)c(OC)c1.O=C(O)C(=O)O
InChIInChI=1S/C17H17IN2O3.C2H2O4/c1-11(15-8-7-14(22-2)10-16(15)23-3)19-20-17(21)12-5-4-6-13(18)9-12;3-1(4)2(5)6/h4-10H,1-3H3,(H,20,21);(H,3,4)(H,5,6)
InChIKeyGBFOETITPKIMES-UHFFFAOYSA-N
XLogP2.62
TPSA134.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.27
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-amino-N-[(Z)-1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide;oxalic acid
CID 163326318
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 78596498
2,4-dimethoxy-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 873053
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
N-[(E)-1-(2,4-dimethoxyphenyl)ethylideneamino]-3,4,5-triethoxybenzamide
CID 22830699
3-iodo-N-[1-(4-methoxyphenyl)propan-2-ylideneamino]benzamide
CID 3923844
2,4-dichloro-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4507808
N-[(Z)-1-(2,5-dimethoxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 9359358
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-4-hexoxybenzamide
CID 4930636
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-2-prop-2-enoxybenzamide
CID 4928995
4-(butanoylamino)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 3380721
N-[2-[(2E)-2-[1-(2,4-dimethoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6322344

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-3-iodobenzamide;oxalic acid?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-3-iodobenzamide;oxalic acid (CID 171151393) is N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-3-iodobenzamide;oxalic acid.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-3-iodobenzamide;oxalic acid?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-3-iodobenzamide;oxalic acid is COc1ccc(C(C)=NNC(=O)c2cccc(I)c2)c(OC)c1.O=C(O)C(=O)O.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-3-iodobenzamide;oxalic acid?
The InChIKey is GBFOETITPKIMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IN2O3.C2H2O4/c1-11(15-8-7-14(22-2)10-16(15)23-3)19-20-17(21)12-5-4-6-13(18)9-12;3-1(4)2(5)6/h4-10H,1-3H3,(H,20,21);(H,3,4)(H,5,6).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-3-iodobenzamide;oxalic acid?
N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-3-iodobenzamide;oxalic acid has a molecular weight of 514.27 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethylideneamino]-3-iodobenzamide;oxalic acid is sourced from PubChem (CID 171151393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).