2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide

C14H11F3N2O3 — CID 27171508

IUPAC2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O3/c1-8-11(5-6-22-8)13(21)19-18-12(20)9-3-2-4-10(7-9)14(15,16)17/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeySGEFCRQAYAHCTB-UHFFFAOYSA-N
MW312.25 g/mol
LogP2.68
Rot. Bonds2

About 2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide

2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide (PubChem CID 27171508) has the molecular formula C14H11F3N2O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide
PubChem CID27171508
Molecular FormulaC14H11F3N2O3
Molecular Weight312.25 g/mol
Exact Mass312.07
IUPAC Name2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide
SMILESCc1occc1C(=O)NNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O3/c1-8-11(5-6-22-8)13(21)19-18-12(20)9-3-2-4-10(7-9)14(15,16)17/h2-7H,1H3,(H,18,20)(H,19,21)
InChIKeySGEFCRQAYAHCTB-UHFFFAOYSA-N
XLogP2.68
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.68
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'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
2-methyl-N'-(3-phenoxybenzoyl)furan-3-carbohydrazide
CID 7809073
2-methyl-N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]furan-3-carboxamide
CID 5078279
N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 7925712
N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylfuran-3-carboxamide
CID 47932718
1-[(4-fluorobenzoyl)amino]-3-[(2-methylfuran-3-carbonyl)amino]urea
CID 51113394
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzamide
CID 82725291
3-(trifluoromethyl)-N'-[4-(trifluoromethyl)-2-pyridinyl]benzohydrazide
CID 599454
N'-[3-(trifluoromethyl)benzoyl]thiophene-2-carbohydrazide
CID 7979324
2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 25402935
2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-3-carboxamide
CID 35761745
N-methylsulfonyl-3-(trifluoromethyl)benzamide
CID 47232687

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide (CID 27171508) is 2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide is Cc1occc1C(=O)NNC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide?
The InChIKey is SGEFCRQAYAHCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3/c1-8-11(5-6-22-8)13(21)19-18-12(20)9-3-2-4-10(7-9)14(15,16)17/h2-7H,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide?
2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide has a molecular weight of 312.25 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[3-(trifluoromethyl)benzoyl]furan-3-carbohydrazide is sourced from PubChem (CID 27171508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).