N'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide

C14H12Br2N2O4 — CID 3931565

IUPACN'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br2N2O4/c1-8-10(4-5-21-8)14(20)18-17-13(19)7-22-12-3-2-9(15)6-11(12)16/h2-6H,7H2,1H3,(H,17,19)(H,18,20)
InChIKeyNQTNZXXMSJTXQU-UHFFFAOYSA-N
MW432.07 g/mol
LogP2.95
Rot. Bonds4

About N'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide

N'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide (PubChem CID 3931565) has the molecular formula C14H12Br2N2O4 and a molecular weight of 432.07 g/mol. Its IUPAC name is N'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide
PubChem CID3931565
Molecular FormulaC14H12Br2N2O4
Molecular Weight432.07 g/mol
Exact Mass429.92
IUPAC NameN'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C14H12Br2N2O4/c1-8-10(4-5-21-8)14(20)18-17-13(19)7-22-12-3-2-9(15)6-11(12)16/h2-6H,7H2,1H3,(H,17,19)(H,18,20)
InChIKeyNQTNZXXMSJTXQU-UHFFFAOYSA-N
XLogP2.95
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.07
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N'-[2-(2,4-dibromophenoxy)acetyl]-2-ethoxybenzohydrazide
CID 17353057
N'-(5-bromo-2-chlorobenzoyl)-2-methylfuran-3-carbohydrazide
CID 7809072
2-butoxy-N'-[2-(2,4-dibromophenoxy)acetyl]benzohydrazide
CID 4941221
N'-[2-(2,4-dibromophenoxy)acetyl]-3-iodo-4-methylbenzohydrazide
CID 3412402
N'-[2-(4-methoxyphenoxy)acetyl]-2-methylfuran-3-carbohydrazide
CID 922681
2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
2-(2,4-dibromophenoxy)-N-methoxyacetamide
CID 33099382
N'-[2-(4-bromo-2-chlorophenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 9276630
2-methyl-N'-[2-[4-(4-methylphenoxy)phenoxy]acetyl]furan-3-carbohydrazide
CID 24633129
5-bromo-N'-[2-(2-bromo-4-ethylphenoxy)acetyl]-2-propan-2-yloxybenzohydrazide
CID 17051749
1-tert-butyl-3-[[2-(2,4-dibromophenoxy)acetyl]amino]thiourea
CID 26286565
(3-bromo-4-ethoxyphenyl)-(2-methylfuran-3-yl)methanone
CID 104656850

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide?
The IUPAC name of N'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide (CID 3931565) is N'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide?
The canonical SMILES for N'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of N'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide?
The InChIKey is NQTNZXXMSJTXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O4/c1-8-10(4-5-21-8)14(20)18-17-13(19)7-22-12-3-2-9(15)6-11(12)16/h2-6H,7H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide?
N'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide has a molecular weight of 432.07 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,4-dibromophenoxy)acetyl]-2-methylfuran-3-carbohydrazide is sourced from PubChem (CID 3931565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).