7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide

C18H14F2N2O4 — CID 9088549

IUPAC7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)COc2ccc(F)cc2)oc2c(F)cccc12
InChIInChI=1S/C18H14F2N2O4/c1-10-13-3-2-4-14(20)17(13)26-16(10)18(24)22-21-15(23)9-25-12-7-5-11(19)6-8-12/h2-8H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyWPEIUCIHTCGELD-UHFFFAOYSA-N
MW360.32 g/mol
LogP2.86
Rot. Bonds4

About 7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide

7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide (PubChem CID 9088549) has the molecular formula C18H14F2N2O4 and a molecular weight of 360.32 g/mol. Its IUPAC name is 7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
PubChem CID9088549
Molecular FormulaC18H14F2N2O4
Molecular Weight360.32 g/mol
Exact Mass360.09
IUPAC Name7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)COc2ccc(F)cc2)oc2c(F)cccc12
InChIInChI=1S/C18H14F2N2O4/c1-10-13-3-2-4-14(20)17(13)26-16(10)18(24)22-21-15(23)9-25-12-7-5-11(19)6-8-12/h2-8H,9H2,1H3,(H,21,23)(H,22,24)
InChIKeyWPEIUCIHTCGELD-UHFFFAOYSA-N
XLogP2.86
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
N'-[2-(2-cyanophenoxy)acetyl]-7-fluoro-3-methyl-1-benzofuran-2-carbohydrazide
CID 9087972
5-fluoro-3-methyl-N'-[2-(4-phenylmethoxyphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 24502823
ethyl 2-[3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]acetate
CID 46424384
2-[2-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxo-N-propan-2-ylacetamide
CID 8532125
N-tert-butyl-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344598
7-fluoro-N-(2-hydroxypropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 43393388
N-(2-ethylbutyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 115612802
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
(2S)-3-[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 107832842
N-(2-bromoprop-2-enyl)-7-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 47439011
3-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46652482

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of 7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide (CID 9088549) is 7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)COc2ccc(F)cc2)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
The InChIKey is WPEIUCIHTCGELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O4/c1-10-13-3-2-4-14(20)17(13)26-16(10)18(24)22-21-15(23)9-25-12-7-5-11(19)6-8-12/h2-8H,9H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide?
7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide has a molecular weight of 360.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N'-[2-(4-fluorophenoxy)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 9088549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).