N-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]-3-hydroxybenzamide

C17H14I2N2O3 — CID 3927350

IUPACN-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]-3-hydroxybenzamide
SMILESC=CCOc1c(I)cc(C=NNC(=O)c2cccc(O)c2)cc1I
InChIInChI=1S/C17H14I2N2O3/c1-2-6-24-16-14(18)7-11(8-15(16)19)10-20-21-17(23)12-4-3-5-13(22)9-12/h2-5,7-10,22H,1,6H2,(H,21,23)
InChIKeyMHIFIMIGGOLSQS-UHFFFAOYSA-N
MW548.12 g/mol
LogP3.93
Rot. Bonds6

About N-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]-3-hydroxybenzamide

N-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]-3-hydroxybenzamide (PubChem CID 3927350) has the molecular formula C17H14I2N2O3 and a molecular weight of 548.12 g/mol. Its IUPAC name is N-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]-3-hydroxybenzamide
PubChem CID3927350
Molecular FormulaC17H14I2N2O3
Molecular Weight548.12 g/mol
Exact Mass547.91
IUPAC NameN-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]-3-hydroxybenzamide
SMILESC=CCOc1c(I)cc(C=NNC(=O)c2cccc(O)c2)cc1I
InChIInChI=1S/C17H14I2N2O3/c1-2-6-24-16-14(18)7-11(8-15(16)19)10-20-21-17(23)12-4-3-5-13(22)9-12/h2-5,7-10,22H,1,6H2,(H,21,23)
InChIKeyMHIFIMIGGOLSQS-UHFFFAOYSA-N
XLogP3.93
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.12
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 5234425
3-hydroxy-N-[(E)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137080354
4-ethoxy-N-[(E)-(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 126329471
2-[(2-chlorophenyl)methoxy]-N-[(E)-(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 19657256
3-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 126323934
N-[(E)-benzylideneamino]-3-hydroxybenzamide
CID 6869110
N-[[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-3-methylbenzamide
CID 3966612
3-ethoxy-N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-prop-2-enoxybenzamide
CID 126317583
N-[(Z)-[4-[(4-bromophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]benzamide
CID 126168030
3-acetamido-N-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 5180952
4-[[2-iodo-6-methoxy-4-[(E)-[(3-methoxy-4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
CID 126308618
N-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
CID 4099852

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]-3-hydroxybenzamide?
The IUPAC name of N-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]-3-hydroxybenzamide (CID 3927350) is N-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]-3-hydroxybenzamide.
What is the SMILES notation for N-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]-3-hydroxybenzamide?
The canonical SMILES for N-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]-3-hydroxybenzamide is C=CCOc1c(I)cc(C=NNC(=O)c2cccc(O)c2)cc1I.
What is the InChIKey of N-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]-3-hydroxybenzamide?
The InChIKey is MHIFIMIGGOLSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14I2N2O3/c1-2-6-24-16-14(18)7-11(8-15(16)19)10-20-21-17(23)12-4-3-5-13(22)9-12/h2-5,7-10,22H,1,6H2,(H,21,23).
What are the key properties of N-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]-3-hydroxybenzamide?
N-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]-3-hydroxybenzamide has a molecular weight of 548.12 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-diiodo-4-prop-2-enoxyphenyl)methylideneamino]-3-hydroxybenzamide is sourced from PubChem (CID 3927350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).