3-(fluoromethyl)-4-(2-pentoxyethoxy)benzohydrazide

C15H23FN2O3 — CID 71122436

IUPAC3-(fluoromethyl)-4-(2-pentoxyethoxy)benzohydrazide
SMILESCCCCCOCCOc1ccc(C(=O)NN)cc1CF
InChIInChI=1S/C15H23FN2O3/c1-2-3-4-7-20-8-9-21-14-6-5-12(15(19)18-17)10-13(14)11-16/h5-6,10H,2-4,7-9,11,17H2,1H3,(H,18,19)
InChIKeyIYYXVCPWXHXFLO-UHFFFAOYSA-N
MW298.36 g/mol
LogP2.35
Rot. Bonds10

About 3-(fluoromethyl)-4-(2-pentoxyethoxy)benzohydrazide

3-(fluoromethyl)-4-(2-pentoxyethoxy)benzohydrazide (PubChem CID 71122436) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-(fluoromethyl)-4-(2-pentoxyethoxy)benzohydrazide.

Molecular Properties

Compound Name3-(fluoromethyl)-4-(2-pentoxyethoxy)benzohydrazide
PubChem CID71122436
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name3-(fluoromethyl)-4-(2-pentoxyethoxy)benzohydrazide
SMILESCCCCCOCCOc1ccc(C(=O)NN)cc1CF
InChIInChI=1S/C15H23FN2O3/c1-2-3-4-7-20-8-9-21-14-6-5-12(15(19)18-17)10-13(14)11-16/h5-6,10H,2-4,7-9,11,17H2,1H3,(H,18,19)
InChIKeyIYYXVCPWXHXFLO-UHFFFAOYSA-N
XLogP2.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-(heptoxymethyl)benzohydrazide
CID 107458143
4-(2-butoxyethoxy)benzohydrazide
CID 55214383
3,4-dipentoxy-N-propan-2-ylbenzamide
CID 3575779
3-amino-4-(2-butoxyethoxy)benzoic acid
CID 54888103
4-pentoxybenzohydrazide
CID 2727702
3-pentoxybenzohydrazide
CID 54793157
methyl 4-amino-3-(2-butoxyethoxy)benzoate
CID 61483522
3-hexoxybenzohydrazide
CID 54793158
3-heptoxybenzohydrazide
CID 54793165
4-amino-N-ethyl-3-pentoxybenzamide
CID 63358644
4-amino-3-(2-butoxyethoxy)benzamide
CID 63356668
1-(4-pentoxy-3-prop-2-enylphenyl)ethanone
CID 54849741

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-4-(2-pentoxyethoxy)benzohydrazide?
The IUPAC name of 3-(fluoromethyl)-4-(2-pentoxyethoxy)benzohydrazide (CID 71122436) is 3-(fluoromethyl)-4-(2-pentoxyethoxy)benzohydrazide.
What is the SMILES notation for 3-(fluoromethyl)-4-(2-pentoxyethoxy)benzohydrazide?
The canonical SMILES for 3-(fluoromethyl)-4-(2-pentoxyethoxy)benzohydrazide is CCCCCOCCOc1ccc(C(=O)NN)cc1CF.
What is the InChIKey of 3-(fluoromethyl)-4-(2-pentoxyethoxy)benzohydrazide?
The InChIKey is IYYXVCPWXHXFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-2-3-4-7-20-8-9-21-14-6-5-12(15(19)18-17)10-13(14)11-16/h5-6,10H,2-4,7-9,11,17H2,1H3,(H,18,19).
What are the key properties of 3-(fluoromethyl)-4-(2-pentoxyethoxy)benzohydrazide?
3-(fluoromethyl)-4-(2-pentoxyethoxy)benzohydrazide has a molecular weight of 298.36 g/mol, XLogP of 2.35, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-4-(2-pentoxyethoxy)benzohydrazide is sourced from PubChem (CID 71122436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).