N'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide

C19H14FN3O4 — CID 9087972

IUPACN'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)COc2ccccc2C#N)oc2c(F)cccc12
InChIInChI=1S/C19H14FN3O4/c1-11-13-6-4-7-14(20)18(13)27-17(11)19(25)23-22-16(24)10-26-15-8-3-2-5-12(15)9-21/h2-8H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyQNJWVZPWTOXOIH-UHFFFAOYSA-N
MW367.34 g/mol
LogP2.59
Rot. Bonds4

About N'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide

N'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 9087972) has the molecular formula C19H14FN3O4 and a molecular weight of 367.34 g/mol. Its IUPAC name is N'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID9087972
Molecular FormulaC19H14FN3O4
Molecular Weight367.34 g/mol
Exact Mass367.10
IUPAC NameN'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)COc2ccccc2C#N)oc2c(F)cccc12
InChIInChI=1S/C19H14FN3O4/c1-11-13-6-4-7-14(20)18(13)27-17(11)19(25)23-22-16(24)10-26-15-8-3-2-5-12(15)9-21/h2-8H,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyQNJWVZPWTOXOIH-UHFFFAOYSA-N
XLogP2.59
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 52.59
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

7-fluoro-3-methyl-N'-[2-(2-phenylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 9085705
7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 9088549
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9275304
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(2,6-difluorophenyl)prop-2-enehydrazide
CID 75403349
3-methyl-N'-[2-(2-nitrophenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 26873925
2-(2-cyanophenoxy)-N-(4-fluoro-3-methylphenyl)acetamide
CID 62812512
5-chloro-N'-[2-(2-cyanophenoxy)acetyl]-2-methoxybenzohydrazide
CID 4811622
[(1S)-1-cyanoethyl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 40766477
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-(5-methylfuran-2-yl)prop-2-enehydrazide
CID 26888241
(E)-N'-[2-(2-cyanophenoxy)acetyl]-3-[5-(2-fluorophenyl)furan-2-yl]prop-2-enehydrazide
CID 9428386
3-ethyl-N'-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 9087227

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide (CID 9087972) is N'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)COc2ccccc2C#N)oc2c(F)cccc12.
What is the InChIKey of N'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is QNJWVZPWTOXOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O4/c1-11-13-6-4-7-14(20)18(13)27-17(11)19(25)23-22-16(24)10-26-15-8-3-2-5-12(15)9-21/h2-8H,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide?
N'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 367.34 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 9087972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).