2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid

C14H11BrN2O5 — CID 6261259

IUPAC2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(/C=N\NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H11BrN2O5/c15-12-6-5-11(22-12)14(20)17-16-7-9-1-3-10(4-2-9)21-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)/b16-7-
InChIKeyLAAJZFIZAUAHNC-APSNUPSMSA-N
MW367.16 g/mol
LogP2.27
Rot. Bonds6

About 2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid

2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 6261259) has the molecular formula C14H11BrN2O5 and a molecular weight of 367.16 g/mol. Its IUPAC name is 2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID6261259
Molecular FormulaC14H11BrN2O5
Molecular Weight367.16 g/mol
Exact Mass365.99
IUPAC Name2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(/C=N\NC(=O)c2ccc(Br)o2)cc1
InChIInChI=1S/C14H11BrN2O5/c15-12-6-5-11(22-12)14(20)17-16-7-9-1-3-10(4-2-9)21-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)/b16-7-
InChIKeyLAAJZFIZAUAHNC-APSNUPSMSA-N
XLogP2.27
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(4-ethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 932602
5-bromo-N-[(4-propan-2-yloxyphenyl)methylideneamino]furan-2-carboxamide
CID 27519009
2-[4-[(Z)-[[4-(phenoxymethyl)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8518057
2-[4-[(Z)-[(5-bromo-7-iodo-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126015288
5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 2171671
2-[4-[[(3-bromobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 5154612
5-bromo-N-[(3-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 1219241
2-[4-[(E)-[(5-bromo-2-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 21370779
2-[4-[[(2-phenylacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 956205
2-[4-[(E)-[[2-(3-bromophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6909519
5-bromo-N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 6894268
2-[4-[[(3,5-dimethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 4035546

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid (CID 6261259) is 2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccc(/C=N\NC(=O)c2ccc(Br)o2)cc1.
What is the InChIKey of 2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is LAAJZFIZAUAHNC-APSNUPSMSA-N. The full InChI is InChI=1S/C14H11BrN2O5/c15-12-6-5-11(22-12)14(20)17-16-7-9-1-3-10(4-2-9)21-8-13(18)19/h1-7H,8H2,(H,17,20)(H,18,19)/b16-7-.
What are the key properties of 2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid?
2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 367.16 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[(5-bromofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 6261259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).