N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide

C18H13N3O4 — CID 26847603

IUPACN'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
SMILESN#Cc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H13N3O4/c19-10-12-5-7-14(8-6-12)24-11-17(22)20-21-18(23)16-9-13-3-1-2-4-15(13)25-16/h1-9H,11H2,(H,20,22)(H,21,23)
InChIKeyXXKBPSCSHMGIRX-UHFFFAOYSA-N
MW335.32 g/mol
LogP2.14
Rot. Bonds4

About N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide

N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide (PubChem CID 26847603) has the molecular formula C18H13N3O4 and a molecular weight of 335.32 g/mol. Its IUPAC name is N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
PubChem CID26847603
Molecular FormulaC18H13N3O4
Molecular Weight335.32 g/mol
Exact Mass335.09
IUPAC NameN'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
SMILESN#Cc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H13N3O4/c19-10-12-5-7-14(8-6-12)24-11-17(22)20-21-18(23)16-9-13-3-1-2-4-15(13)25-16/h1-9H,11H2,(H,20,22)(H,21,23)
InChIKeyXXKBPSCSHMGIRX-UHFFFAOYSA-N
XLogP2.14
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.14
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-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 9323491
N'-[2-(4-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 7116308
1-benzofuran-2-ylmethyl 2-(4-cyanophenoxy)acetate
CID 27148547
N'-[2-(2-methoxyphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 7719982
N-[(Z)-(4-cyanophenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 5411313
N'-[2-(3,5-dimethylphenoxy)acetyl]-2-oxochromene-3-carbohydrazide
CID 1050674
4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 2571476
N'-[2-(4-cyanophenoxy)acetyl]-2-methylquinoline-4-carbohydrazide
CID 9471732
1-(1-benzofuran-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43413232
N-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-1-benzofuran-2-carboxamide
CID 1018695
N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 1086001
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9141001

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide (CID 26847603) is N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide is N#Cc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3o2)cc1.
What is the InChIKey of N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is XXKBPSCSHMGIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O4/c19-10-12-5-7-14(8-6-12)24-11-17(22)20-21-18(23)16-9-13-3-1-2-4-15(13)25-16/h1-9H,11H2,(H,20,22)(H,21,23).
What are the key properties of N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 335.32 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 26847603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).