2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide

C13H12N4O4 — CID 4646568

IUPAC2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide
SMILESO=C(NNC(=O)c1ccco1)C(=O)NNc1ccccc1
InChIInChI=1S/C13H12N4O4/c18-11(10-7-4-8-21-10)15-17-13(20)12(19)16-14-9-5-2-1-3-6-9/h1-8,14H,(H,15,18)(H,16,19)(H,17,20)
InChIKeyBBNDICVSHNBJLK-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.18
Rot. Bonds3

About 2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide

2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide (PubChem CID 4646568) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide.

Molecular Properties

Compound Name2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide
PubChem CID4646568
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide
SMILESO=C(NNC(=O)c1ccco1)C(=O)NNc1ccccc1
InChIInChI=1S/C13H12N4O4/c18-11(10-7-4-8-21-10)15-17-13(20)12(19)16-14-9-5-2-1-3-6-9/h1-8,14H,(H,15,18)(H,16,19)(H,17,20)
InChIKeyBBNDICVSHNBJLK-UHFFFAOYSA-N
XLogP0.18
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-bromophenyl)furan-2-carbohydrazide
CID 4287494
N'-(4-chlorophenyl)furan-2-carbohydrazide
CID 3043690
N'-phenylfuran-2-carbothiohydrazide
CID 15761686
methyl N-(furan-2-carbonylamino)carbamate
CID 909545
N'-benzylsulfonylfuran-2-carbohydrazide
CID 8515985
N'-(2-oxo-2-piperidin-1-ylacetyl)furan-2-carbohydrazide
CID 2263224
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073
N'-(5-acetylthiophene-2-carbonyl)furan-2-carbohydrazide
CID 9086877
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 6736260
furan-2-carboxylic acid;silver
CID 87285311
N'-(2-phenoxypropanoyl)furan-2-carbohydrazide
CID 3693666

Frequently Asked Questions

What is the IUPAC name of 2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide?
The IUPAC name of 2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide (CID 4646568) is 2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide.
What is the SMILES notation for 2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide?
The canonical SMILES for 2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide is O=C(NNC(=O)c1ccco1)C(=O)NNc1ccccc1.
What is the InChIKey of 2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide?
The InChIKey is BBNDICVSHNBJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c18-11(10-7-4-8-21-10)15-17-13(20)12(19)16-14-9-5-2-1-3-6-9/h1-8,14H,(H,15,18)(H,16,19)(H,17,20).
What are the key properties of 2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide?
2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide has a molecular weight of 288.26 g/mol, XLogP of 0.18, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-(furan-2-carbonyl)-1-N'-phenylethanedihydrazide is sourced from PubChem (CID 4646568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).