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

C18H12ClN3O4 — CID 9323491

IUPAC5-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
SMILESN#Cc1ccc(OCC(=O)NNC(=O)c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C18H12ClN3O4/c19-13-3-6-15-12(7-13)8-16(26-15)18(24)22-21-17(23)10-25-14-4-1-11(9-20)2-5-14/h1-8H,10H2,(H,21,23)(H,22,24)
InChIKeyICXGOFKHLACYHI-UHFFFAOYSA-N
MW369.76 g/mol
LogP2.80
Rot. Bonds4

About 5-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide

5-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide (PubChem CID 9323491) has the molecular formula C18H12ClN3O4 and a molecular weight of 369.76 g/mol. Its IUPAC name is 5-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
PubChem CID9323491
Molecular FormulaC18H12ClN3O4
Molecular Weight369.76 g/mol
Exact Mass369.05
IUPAC Name5-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
SMILESN#Cc1ccc(OCC(=O)NNC(=O)c2cc3cc(Cl)ccc3o2)cc1
InChIInChI=1S/C18H12ClN3O4/c19-13-3-6-15-12(7-13)8-16(26-15)18(24)22-21-17(23)10-25-14-4-1-11(9-20)2-5-14/h1-8H,10H2,(H,21,23)(H,22,24)
InChIKeyICXGOFKHLACYHI-UHFFFAOYSA-N
XLogP2.80
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.76
LogP ≤ 52.80
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

N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 26847603
1-(5-chloro-1-benzofuran-2-yl)-2-(4-chlorophenoxy)ethanone
CID 115573243
N'-[2-(4-cyanophenoxy)acetyl]-2-(2,4-dichlorophenyl)acetohydrazide
CID 7978491
5-chloro-N'-(4-ethoxyphenyl)sulfonyl-1-benzofuran-2-carbohydrazide
CID 9270566
5-chloro-N'-(3-cyanophenyl)sulfanyl-1-benzofuran-2-carbohydrazide
CID 142129816
N-(2-amino-5-chlorophenyl)-2-(4-cyanophenoxy)acetamide
CID 29050645
2-[4-(4-cyanophenyl)phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 1034300
2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide
CID 8614315
N-[(3-chlorophenyl)methyl]-2-(4-cyanophenoxy)acetamide
CID 2710123
N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 8614364
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 27998412
4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 2571476

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 5-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide (CID 9323491) is 5-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 5-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide is N#Cc1ccc(OCC(=O)NNC(=O)c2cc3cc(Cl)ccc3o2)cc1.
What is the InChIKey of 5-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is ICXGOFKHLACYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O4/c19-13-3-6-15-12(7-13)8-16(26-15)18(24)22-21-17(23)10-25-14-4-1-11(9-20)2-5-14/h1-8H,10H2,(H,21,23)(H,22,24).
What are the key properties of 5-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
5-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 369.76 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-[2-(4-cyanophenoxy)acetyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 9323491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).