N'-(3-cyano-4-hydroxybenzoyl)-3-[3-(2-phenylethoxy)phenyl]furan-2-carbohydrazide

C27H21N3O5 — CID 11719683

IUPACN'-(3-cyano-4-hydroxybenzoyl)-3-[3-(2-phenylethoxy)phenyl]furan-2-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2occc2-c2cccc(OCCc3ccccc3)c2)ccc1O
InChIInChI=1S/C27H21N3O5/c28-17-21-15-20(9-10-24(21)31)26(32)29-30-27(33)25-23(12-14-35-25)19-7-4-8-22(16-19)34-13-11-18-5-2-1-3-6-18/h1-10,12,14-16,31H,11,13H2,(H,29,32)(H,30,33)
InChIKeyHOWAWLNQEHMRIB-UHFFFAOYSA-N
MW467.48 g/mol
LogP4.22
Rot. Bonds7

About N'-(3-cyano-4-hydroxybenzoyl)-3-[3-(2-phenylethoxy)phenyl]furan-2-carbohydrazide

N'-(3-cyano-4-hydroxybenzoyl)-3-[3-(2-phenylethoxy)phenyl]furan-2-carbohydrazide (PubChem CID 11719683) has the molecular formula C27H21N3O5 and a molecular weight of 467.48 g/mol. Its IUPAC name is N'-(3-cyano-4-hydroxybenzoyl)-3-[3-(2-phenylethoxy)phenyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3-cyano-4-hydroxybenzoyl)-3-[3-(2-phenylethoxy)phenyl]furan-2-carbohydrazide
PubChem CID11719683
Molecular FormulaC27H21N3O5
Molecular Weight467.48 g/mol
Exact Mass467.15
IUPAC NameN'-(3-cyano-4-hydroxybenzoyl)-3-[3-(2-phenylethoxy)phenyl]furan-2-carbohydrazide
SMILESN#Cc1cc(C(=O)NNC(=O)c2occc2-c2cccc(OCCc3ccccc3)c2)ccc1O
InChIInChI=1S/C27H21N3O5/c28-17-21-15-20(9-10-24(21)31)26(32)29-30-27(33)25-23(12-14-35-25)19-7-4-8-22(16-19)34-13-11-18-5-2-1-3-6-18/h1-10,12,14-16,31H,11,13H2,(H,29,32)(H,30,33)
InChIKeyHOWAWLNQEHMRIB-UHFFFAOYSA-N
XLogP4.22
TPSA124.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.48
LogP ≤ 54.22
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)-3-[3-(2-phenylethoxy)phenyl]furan-2-carbohydrazide?
The IUPAC name of N'-(3-cyano-4-hydroxybenzoyl)-3-[3-(2-phenylethoxy)phenyl]furan-2-carbohydrazide (CID 11719683) is N'-(3-cyano-4-hydroxybenzoyl)-3-[3-(2-phenylethoxy)phenyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-(3-cyano-4-hydroxybenzoyl)-3-[3-(2-phenylethoxy)phenyl]furan-2-carbohydrazide?
The canonical SMILES for N'-(3-cyano-4-hydroxybenzoyl)-3-[3-(2-phenylethoxy)phenyl]furan-2-carbohydrazide is N#Cc1cc(C(=O)NNC(=O)c2occc2-c2cccc(OCCc3ccccc3)c2)ccc1O.
What is the InChIKey of N'-(3-cyano-4-hydroxybenzoyl)-3-[3-(2-phenylethoxy)phenyl]furan-2-carbohydrazide?
The InChIKey is HOWAWLNQEHMRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O5/c28-17-21-15-20(9-10-24(21)31)26(32)29-30-27(33)25-23(12-14-35-25)19-7-4-8-22(16-19)34-13-11-18-5-2-1-3-6-18/h1-10,12,14-16,31H,11,13H2,(H,29,32)(H,30,33).
What are the key properties of N'-(3-cyano-4-hydroxybenzoyl)-3-[3-(2-phenylethoxy)phenyl]furan-2-carbohydrazide?
N'-(3-cyano-4-hydroxybenzoyl)-3-[3-(2-phenylethoxy)phenyl]furan-2-carbohydrazide has a molecular weight of 467.48 g/mol, XLogP of 4.22, 7 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)-3-[3-(2-phenylethoxy)phenyl]furan-2-carbohydrazide is sourced from PubChem (CID 11719683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).