4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide

C20H21F3N2O3 — CID 55831849

IUPAC4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide
SMILESCOc1cc(C(=O)NNc2ccccc2C(F)(F)F)ccc1OC1CCCC1
InChIInChI=1S/C20H21F3N2O3/c1-27-18-12-13(10-11-17(18)28-14-6-2-3-7-14)19(26)25-24-16-9-5-4-8-15(16)20(21,22)23/h4-5,8-12,14,24H,2-3,6-7H2,1H3,(H,25,26)
InChIKeyGBFSTJDBGYXEAY-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.79
Rot. Bonds6

About 4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide

4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide (PubChem CID 55831849) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide.

Molecular Properties

Compound Name4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide
PubChem CID55831849
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide
SMILESCOc1cc(C(=O)NNc2ccccc2C(F)(F)F)ccc1OC1CCCC1
InChIInChI=1S/C20H21F3N2O3/c1-27-18-12-13(10-11-17(18)28-14-6-2-3-7-14)19(26)25-24-16-9-5-4-8-15(16)20(21,22)23/h4-5,8-12,14,24H,2-3,6-7H2,1H3,(H,25,26)
InChIKeyGBFSTJDBGYXEAY-UHFFFAOYSA-N
XLogP4.79
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.79
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

2-[2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]phenyl]acetic acid
CID 119218458
2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide
CID 55343291
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
N-[2-(2-aminoethylcarbamoyl)phenyl]-4-cyclopentyloxy-3-methoxybenzamide;hydrochloride
CID 120603998
4-cyclopentyloxy-N-(2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 55792810
2-(4-cyclopentyloxy-3-methoxyphenyl)-2-oxoacetic acid
CID 117414713
3-chloro-4-methoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 886628
N-(5-chloro-2-hydroxyphenyl)-4-cyclopentyloxy-3-methoxybenzamide
CID 56581323
4-cyclopentyloxy-N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxybenzohydrazide
CID 55833905
4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide
CID 55343394
2-[(4-cyclopentyloxy-3-methoxybenzoyl)amino]butanoic acid
CID 119223918
4-cyclopentyloxy-N-[2-(dimethylamino)-1-phenylethyl]-3-methoxybenzamide
CID 78889552

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide?
The IUPAC name of 4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide (CID 55831849) is 4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide.
What is the SMILES notation for 4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide?
The canonical SMILES for 4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide is COc1cc(C(=O)NNc2ccccc2C(F)(F)F)ccc1OC1CCCC1.
What is the InChIKey of 4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide?
The InChIKey is GBFSTJDBGYXEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-27-18-12-13(10-11-17(18)28-14-6-2-3-7-14)19(26)25-24-16-9-5-4-8-15(16)20(21,22)23/h4-5,8-12,14,24H,2-3,6-7H2,1H3,(H,25,26).
What are the key properties of 4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide?
4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide has a molecular weight of 394.39 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-3-methoxy-N'-[2-(trifluoromethyl)phenyl]benzohydrazide is sourced from PubChem (CID 55831849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).