N'-[5-(4-chlorophenyl)furan-2-carbonyl]pyrazine-2-carbohydrazide

C16H11ClN4O3 — CID 42016082

IUPACN'-[5-(4-chlorophenyl)furan-2-carbonyl]pyrazine-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1cnccn1
InChIInChI=1S/C16H11ClN4O3/c17-11-3-1-10(2-4-11)13-5-6-14(24-13)16(23)21-20-15(22)12-9-18-7-8-19-12/h1-9H,(H,20,22)(H,21,23)
InChIKeyXNHUVQGIIOJMNF-UHFFFAOYSA-N
MW342.74 g/mol
LogP2.46
Rot. Bonds3

About N'-[5-(4-chlorophenyl)furan-2-carbonyl]pyrazine-2-carbohydrazide

N'-[5-(4-chlorophenyl)furan-2-carbonyl]pyrazine-2-carbohydrazide (PubChem CID 42016082) has the molecular formula C16H11ClN4O3 and a molecular weight of 342.74 g/mol. Its IUPAC name is N'-[5-(4-chlorophenyl)furan-2-carbonyl]pyrazine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[5-(4-chlorophenyl)furan-2-carbonyl]pyrazine-2-carbohydrazide
PubChem CID42016082
Molecular FormulaC16H11ClN4O3
Molecular Weight342.74 g/mol
Exact Mass342.05
IUPAC NameN'-[5-(4-chlorophenyl)furan-2-carbonyl]pyrazine-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1cnccn1
InChIInChI=1S/C16H11ClN4O3/c17-11-3-1-10(2-4-11)13-5-6-14(24-13)16(23)21-20-15(22)12-9-18-7-8-19-12/h1-9H,(H,20,22)(H,21,23)
InChIKeyXNHUVQGIIOJMNF-UHFFFAOYSA-N
XLogP2.46
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.74
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(4-chlorophenyl)-N-pyridin-3-ylfuran-2-carboxamide
CID 780278
5-(4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
CID 91678227
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]pyrazine-2-carboxamide
CID 6498574
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
5-(4-chlorophenyl)-N-(1-pyridin-4-ylethyl)furan-2-carboxamide
CID 24639226
N'-[5-(2-chlorophenyl)furan-2-carbonyl]pyridine-2-carbohydrazide
CID 8866672
5-(4-chlorophenyl)-N-(2-methyl-4-pyridinyl)furan-2-carboxamide
CID 24776776
5-(4-chlorophenyl)-N'-[2-(3-methylphenoxy)acetyl]furan-2-carbohydrazide
CID 24502806
5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide
CID 24503555
N-(4-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxamide
CID 18871483
5-(4-chlorophenyl)-N-(2,4,5-trichlorophenyl)furan-2-carboxamide
CID 23995235
N-(pyrazine-2-carbonylamino)carbamodithioate
CID 135545558

Frequently Asked Questions

What is the IUPAC name of N'-[5-(4-chlorophenyl)furan-2-carbonyl]pyrazine-2-carbohydrazide?
The IUPAC name of N'-[5-(4-chlorophenyl)furan-2-carbonyl]pyrazine-2-carbohydrazide (CID 42016082) is N'-[5-(4-chlorophenyl)furan-2-carbonyl]pyrazine-2-carbohydrazide.
What is the SMILES notation for N'-[5-(4-chlorophenyl)furan-2-carbonyl]pyrazine-2-carbohydrazide?
The canonical SMILES for N'-[5-(4-chlorophenyl)furan-2-carbonyl]pyrazine-2-carbohydrazide is O=C(NNC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1cnccn1.
What is the InChIKey of N'-[5-(4-chlorophenyl)furan-2-carbonyl]pyrazine-2-carbohydrazide?
The InChIKey is XNHUVQGIIOJMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O3/c17-11-3-1-10(2-4-11)13-5-6-14(24-13)16(23)21-20-15(22)12-9-18-7-8-19-12/h1-9H,(H,20,22)(H,21,23).
What are the key properties of N'-[5-(4-chlorophenyl)furan-2-carbonyl]pyrazine-2-carbohydrazide?
N'-[5-(4-chlorophenyl)furan-2-carbonyl]pyrazine-2-carbohydrazide has a molecular weight of 342.74 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-chlorophenyl)furan-2-carbonyl]pyrazine-2-carbohydrazide is sourced from PubChem (CID 42016082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).