N'-(3-cyano-4-hydroxybenzoyl)-4-(2-phenylmethoxyphenyl)furan-2-carbohydrazide

C26H19N3O5 — CID 68860728

IUPACN'-(3-cyano-4-hydroxybenzoyl)-4-(2-phenylmethoxyphenyl)furan-2-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3OCc3ccccc3)co2)ccc1O
InChIInChI=1S/C26H19N3O5/c27-14-19-12-18(10-11-22(19)30)25(31)28-29-26(32)24-13-20(16-34-24)21-8-4-5-9-23(21)33-15-17-6-2-1-3-7-17/h1-13,16,30H,15H2,(H,28,31)(H,29,32)
InChIKeyLNDIBGFBAJSGEW-UHFFFAOYSA-N
MW453.45 g/mol
LogP4.18
Rot. Bonds6

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

N'-(3-cyano-4-hydroxybenzoyl)-4-(2-phenylmethoxyphenyl)furan-2-carbohydrazide (PubChem CID 68860728) has the molecular formula C26H19N3O5 and a molecular weight of 453.45 g/mol. Its IUPAC name is N'-(3-cyano-4-hydroxybenzoyl)-4-(2-phenylmethoxyphenyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-cyano-4-hydroxybenzoyl)-4-(2-phenylmethoxyphenyl)furan-2-carbohydrazide
PubChem CID68860728
Molecular FormulaC26H19N3O5
Molecular Weight453.45 g/mol
Exact Mass453.13
IUPAC NameN'-(3-cyano-4-hydroxybenzoyl)-4-(2-phenylmethoxyphenyl)furan-2-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3OCc3ccccc3)co2)ccc1O
InChIInChI=1S/C26H19N3O5/c27-14-19-12-18(10-11-22(19)30)25(31)28-29-26(32)24-13-20(16-34-24)21-8-4-5-9-23(21)33-15-17-6-2-1-3-7-17/h1-13,16,30H,15H2,(H,28,31)(H,29,32)
InChIKeyLNDIBGFBAJSGEW-UHFFFAOYSA-N
XLogP4.18
TPSA124.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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)-4-(2-phenylmethoxyphenyl)furan-2-carbohydrazide?
The IUPAC name of N'-(3-cyano-4-hydroxybenzoyl)-4-(2-phenylmethoxyphenyl)furan-2-carbohydrazide (CID 68860728) is N'-(3-cyano-4-hydroxybenzoyl)-4-(2-phenylmethoxyphenyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(3-cyano-4-hydroxybenzoyl)-4-(2-phenylmethoxyphenyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(3-cyano-4-hydroxybenzoyl)-4-(2-phenylmethoxyphenyl)furan-2-carbohydrazide is N#Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3OCc3ccccc3)co2)ccc1O.
What is the InChIKey of N'-(3-cyano-4-hydroxybenzoyl)-4-(2-phenylmethoxyphenyl)furan-2-carbohydrazide?
The InChIKey is LNDIBGFBAJSGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O5/c27-14-19-12-18(10-11-22(19)30)25(31)28-29-26(32)24-13-20(16-34-24)21-8-4-5-9-23(21)33-15-17-6-2-1-3-7-17/h1-13,16,30H,15H2,(H,28,31)(H,29,32).
What are the key properties of N'-(3-cyano-4-hydroxybenzoyl)-4-(2-phenylmethoxyphenyl)furan-2-carbohydrazide?
N'-(3-cyano-4-hydroxybenzoyl)-4-(2-phenylmethoxyphenyl)furan-2-carbohydrazide has a molecular weight of 453.45 g/mol, XLogP of 4.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyano-4-hydroxybenzoyl)-4-(2-phenylmethoxyphenyl)furan-2-carbohydrazide is sourced from PubChem (CID 68860728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).