N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide

C19H13N3O4 — CID 11667386

IUPACN'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2occc2-c2ccccc2)ccc1O
InChIInChI=1S/C19H13N3O4/c20-11-14-10-13(6-7-16(14)23)18(24)21-22-19(25)17-15(8-9-26-17)12-4-2-1-3-5-12/h1-10,23H,(H,21,24)(H,22,25)
InChIKeyXVYHWZZUUZOGIG-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.60
Rot. Bonds3

About N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide

N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide (PubChem CID 11667386) has the molecular formula C19H13N3O4 and a molecular weight of 347.33 g/mol. Its IUPAC name is N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide
PubChem CID11667386
Molecular FormulaC19H13N3O4
Molecular Weight347.33 g/mol
Exact Mass347.09
IUPAC NameN'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2occc2-c2ccccc2)ccc1O
InChIInChI=1S/C19H13N3O4/c20-11-14-10-13(6-7-16(14)23)18(24)21-22-19(25)17-15(8-9-26-17)12-4-2-1-3-5-12/h1-10,23H,(H,21,24)(H,22,25)
InChIKeyXVYHWZZUUZOGIG-UHFFFAOYSA-N
XLogP2.60
TPSA115.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide?
The IUPAC name of N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide (CID 11667386) is N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide.
What is the SMILES notation for N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide?
The canonical SMILES for N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide is N#Cc1cc(C(=O)NNC(=O)c2occc2-c2ccccc2)ccc1O.
What is the InChIKey of N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide?
The InChIKey is XVYHWZZUUZOGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O4/c20-11-14-10-13(6-7-16(14)23)18(24)21-22-19(25)17-15(8-9-26-17)12-4-2-1-3-5-12/h1-10,23H,(H,21,24)(H,22,25).
What are the key properties of N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide?
N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide has a molecular weight of 347.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-4-hydroxybenzoyl)-3-phenylfuran-2-carbohydrazide is sourced from PubChem (CID 11667386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).