N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

C14H12BrN3O4 — CID 135479574

IUPACN-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C14H12BrN3O4/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+
InChIKeyPLOJNYJHXKMEOC-REZTVBANSA-N
MW366.17 g/mol
LogP1.63
Rot. Bonds5

About N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide

N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 135479574) has the molecular formula C14H12BrN3O4 and a molecular weight of 366.17 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
PubChem CID135479574
Molecular FormulaC14H12BrN3O4
Molecular Weight366.17 g/mol
Exact Mass365.00
IUPAC NameN-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)N/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C14H12BrN3O4/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+
InChIKeyPLOJNYJHXKMEOC-REZTVBANSA-N
XLogP1.63
TPSA103.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.17
LogP ≤ 51.63
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2-(2-(2,4-dihydroxybenzylidene)hydrazinyl)-2-oxoethyl)furan-2-carboxamide
CID 135550903
(E)-N-(2-(2-(2-hydroxy-3-methoxybenzylidene)hydrazinyl)-2-oxoethyl)furan-2-carboxamide
CID 135648145
[4-bromo-2-[(E)-[[2-[(2-hydroxybenzoyl)amino]acetyl]hydrazinylidene]methyl]phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 6871607
(E)-2-(2-((2-(2-(furan-2-carboxamido)acetyl)hydrazono)methyl)phenoxy)acetic acid
CID 6884223
N-(2-{(2E)-2-[1-(4-bromophenyl)ethylidene]hydrazinyl}-2-oxoethyl)furan-2-carboxamide (non-preferred name)
CID 9668600
[(3R)-5-(5-bromo-2-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 136986952
4-[(E)-({2-[(Furan-2-YL)formamido]acetamido}imino)methyl]benzoic acid
CID 9595597
Carbohydrazide derivative, 3f
CID 135867732
5-bromo-N-[2-[2-(2-hydroxybenzoyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24980198
2-[(2E)-2-(3-bromo-4-hydroxy-5-methoxybenzylidene)hydrazinyl]-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 135628658
[(3S)-5-(5-bromo-2-hydroxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-(furan-2-yl)methanone
CID 136986953
3-Bromo-N-(2-(2-(2-furylmethylene)hydrazino)-2-oxoethyl)benzamide
CID 9585870

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide (CID 135479574) is N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)N/N=C/c1cc(Br)ccc1O.
What is the InChIKey of N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is PLOJNYJHXKMEOC-REZTVBANSA-N. The full InChI is InChI=1S/C14H12BrN3O4/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-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide?
N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 366.17 g/mol, XLogP of 1.63, 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-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 135479574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).