N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide

C19H21FN2O3 — CID 4927856

IUPACN'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O3/c1-13(2)11-12-25-17-9-5-15(6-10-17)19(24)22-21-18(23)14-3-7-16(20)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFDJYGVYNZUDWOC-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.33
Rot. Bonds6

About N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide

N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide (PubChem CID 4927856) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
PubChem CID4927856
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C19H21FN2O3/c1-13(2)11-12-25-17-9-5-15(6-10-17)19(24)22-21-18(23)14-3-7-16(20)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFDJYGVYNZUDWOC-UHFFFAOYSA-N
XLogP3.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576
N'-[4-(3-methylbutoxy)benzoyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956685
N'-butanoyl-4-(3-methylbutoxy)benzohydrazide
CID 4927928
2-hydroxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 27693938
2-chloro-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4927887
N'-[4-(3-methylbutoxy)benzoyl]-2-propan-2-yloxybenzohydrazide
CID 17045712
N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide
CID 55334035
N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide
CID 54789257
N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide
CID 4948474
N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide
CID 8617549
N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953226

Frequently Asked Questions

What is the IUPAC name of N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide?
The IUPAC name of N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide (CID 4927856) is N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide.
What is the SMILES notation for N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide?
The canonical SMILES for N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide is CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide?
The InChIKey is FDJYGVYNZUDWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-13(2)11-12-25-17-9-5-15(6-10-17)19(24)22-21-18(23)14-3-7-16(20)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide?
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide has a molecular weight of 344.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide is sourced from PubChem (CID 4927856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).