N'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide

C20H19F3N2O3 — CID 78832706

IUPACN'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)C2CC2c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c1-12-6-8-13(9-7-12)28-11-18(26)24-25-19(27)16-10-15(16)14-4-2-3-5-17(14)20(21,22)23/h2-9,15-16H,10-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyMUNUGTKDQMMSOV-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.34
Rot. Bonds5

About N'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide

N'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide (PubChem CID 78832706) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
PubChem CID78832706
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)C2CC2c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C20H19F3N2O3/c1-12-6-8-13(9-7-12)28-11-18(26)24-25-19(27)16-10-15(16)14-4-2-3-5-17(14)20(21,22)23/h2-9,15-16H,10-11H2,1H3,(H,24,26)(H,25,27)
InChIKeyMUNUGTKDQMMSOV-UHFFFAOYSA-N
XLogP3.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.34
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

cis-(1R,2S)-N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 97004714
N'-(4,6-dimethylpyrimidin-2-yl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 71899915
4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide
CID 78832337
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114
1-methyl-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]indole-3-carbohydrazide
CID 134009766
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398
(2-amino-2-oxoethyl) 2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 71900564
3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119176944
(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 99849440
N-(4-methoxyphenyl)-4-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzamide
CID 134055578
methyl 6-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]hexanoate
CID 86914458
2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108556994

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide?
The IUPAC name of N'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide (CID 78832706) is N'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide.
What is the SMILES notation for N'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide?
The canonical SMILES for N'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide is Cc1ccc(OCC(=O)NNC(=O)C2CC2c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of N'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide?
The InChIKey is MUNUGTKDQMMSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-12-6-8-13(9-7-12)28-11-18(26)24-25-19(27)16-10-15(16)14-4-2-3-5-17(14)20(21,22)23/h2-9,15-16H,10-11H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide?
N'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide has a molecular weight of 392.38 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-methylphenoxy)acetyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide is sourced from PubChem (CID 78832706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).