N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide

C14H13FN2O3S — CID 7809022

IUPACN'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)COc2ccccc2F)s1
InChIInChI=1S/C14H13FN2O3S/c1-9-6-7-12(21-9)14(19)17-16-13(18)8-20-11-5-3-2-4-10(11)15/h2-7H,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyXVIMEWUACVPGGR-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.04
Rot. Bonds4

About N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide

N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 7809022) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide
PubChem CID7809022
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC NameN'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)COc2ccccc2F)s1
InChIInChI=1S/C14H13FN2O3S/c1-9-6-7-12(21-9)14(19)17-16-13(18)8-20-11-5-3-2-4-10(11)15/h2-7H,8H2,1H3,(H,16,18)(H,17,19)
InChIKeyXVIMEWUACVPGGR-UHFFFAOYSA-N
XLogP2.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.04
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

N'-[2-(2-fluorophenoxy)acetyl]thiophene-2-carbohydrazide
CID 9479038
2-(2-fluorophenoxy)-N'-(2-methylsulfanylacetyl)acetohydrazide
CID 9471875
N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18120021
N'-[2-(2,5-dimethylphenoxy)acetyl]-2-(2-fluorophenoxy)acetohydrazide
CID 7943429
N'-[2-(2-fluorophenoxy)acetyl]pyridine-4-carbohydrazide
CID 17439720
N'-[2-(2-fluorophenoxy)acetyl]-4-(trifluoromethyl)benzohydrazide
CID 7601146
N'-benzoyl-5-methylthiophene-2-carbohydrazide
CID 4808936
2-(2-fluorophenoxy)-N'-[2-(2-fluorophenoxy)acetyl]propanehydrazide
CID 51156370
N'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide
CID 9471920
2-[[2-(2-fluorophenoxy)acetyl]amino]-5-methylthiophene-3-carboxylic acid
CID 63174643
N'-[2-(4-chlorophenyl)acetyl]-5-methylthiophene-2-carbohydrazide
CID 36855608
N-[2-(2-aminophenoxy)ethyl]-5-methylthiophene-2-carboxamide
CID 54915737

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide (CID 7809022) is N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide is Cc1ccc(C(=O)NNC(=O)COc2ccccc2F)s1.
What is the InChIKey of N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is XVIMEWUACVPGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c1-9-6-7-12(21-9)14(19)17-16-13(18)8-20-11-5-3-2-4-10(11)15/h2-7H,8H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide?
N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 308.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-fluorophenoxy)acetyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 7809022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).