N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide

C18H19F3N2O3 — CID 86888462

IUPACN'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
SMILESCC(C)(C)CC(=O)NNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C18H19F3N2O3/c1-17(2,3)10-15(24)22-23-16(25)14-8-7-13(26-14)11-5-4-6-12(9-11)18(19,20)21/h4-9H,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyQUFSTXWAEZVHTK-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.16
Rot. Bonds3

About N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide

N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide (PubChem CID 86888462) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
PubChem CID86888462
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC NameN'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
SMILESCC(C)(C)CC(=O)NNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C18H19F3N2O3/c1-17(2,3)10-15(24)22-23-16(25)14-8-7-13(26-14)11-5-4-6-12(9-11)18(19,20)21/h4-9H,10H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyQUFSTXWAEZVHTK-UHFFFAOYSA-N
XLogP4.16
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.16
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

N'-[2-(2-fluorophenoxy)acetyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide
CID 26847933
1-phenyl-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871683
N-(3-methoxypropyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9120331
1-(2-methylphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871693
N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 26713686
1-(2-methoxyphenyl)-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]thiourea
CID 18871805
N-(3-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 1289408
N-(3,5-dimethoxyphenyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 9096716
N-[4-(dimethylcarbamoyl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 29428114
N-[4-(diethylamino)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 5262527
methyl 2-[3-[[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]amino]phenyl]acetate
CID 59654678
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 48731441

Frequently Asked Questions

What is the IUPAC name of N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide?
The IUPAC name of N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide (CID 86888462) is N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide?
The canonical SMILES for N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide is CC(C)(C)CC(=O)NNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide?
The InChIKey is QUFSTXWAEZVHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-17(2,3)10-15(24)22-23-16(25)14-8-7-13(26-14)11-5-4-6-12(9-11)18(19,20)21/h4-9H,10H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide?
N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide has a molecular weight of 368.36 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,3-dimethylbutanoyl)-5-[3-(trifluoromethyl)phenyl]furan-2-carbohydrazide is sourced from PubChem (CID 86888462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).