N-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C14H12IN3O4 — CID 135684775

IUPACN-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)N/N=C/c1cc(I)ccc1O
InChIInChI=1S/C14H12IN3O4/c15-10-3-4-11(19)9(6-10)7-17-18-13(20)8-16-14(21)12-2-1-5-22-12/h1-7,19H,8H2,(H,16,21)(H,18,20)/b17-7+
InChIKeyYEEDSXWJGJWBGX-REZTVBANSA-N
MW413.17 g/mol
LogP1.47
Rot. Bonds5

About N-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 135684775) has the molecular formula C14H12IN3O4 and a molecular weight of 413.17 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID135684775
Molecular FormulaC14H12IN3O4
Molecular Weight413.17 g/mol
Exact Mass412.99
IUPAC NameN-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)N/N=C/c1cc(I)ccc1O
InChIInChI=1S/C14H12IN3O4/c15-10-3-4-11(19)9(6-10)7-17-18-13(20)8-16-14(21)12-2-1-5-22-12/h1-7,19H,8H2,(H,16,21)(H,18,20)/b17-7+
InChIKeyYEEDSXWJGJWBGX-REZTVBANSA-N
XLogP1.47
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.17
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[2-[(2Z)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 136909111
N-[2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7719992
N-[2-[2-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 3098535
2-(4-bromophenyl)-N-[(E)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135579434
N-[2-[(2Z)-2-[(2,4-dimethoxy-5-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 6110543
N-[2-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 7032630
[4-[[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
CID 4672376
2-bromo-N-[2-[(2Z)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 136720747
4-fluoro-N-[(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 4220213
3-bromo-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]benzamide
CID 135905942
N-[(E)-(5-bromo-2-hydroxy-3-iodophenyl)methylideneamino]furan-2-carboxamide
CID 137173095
2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135884080

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 135684775) is N-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)N/N=C/c1cc(I)ccc1O.
What is the InChIKey of N-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is YEEDSXWJGJWBGX-REZTVBANSA-N. The full InChI is InChI=1S/C14H12IN3O4/c15-10-3-4-11(19)9(6-10)7-17-18-13(20)8-16-14(21)12-2-1-5-22-12/h1-7,19H,8H2,(H,16,21)(H,18,20)/b17-7+.
What are the key properties of N-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 413.17 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(2-hydroxy-5-iodophenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 135684775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).