N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide

C13H9F3N2O3 — CID 4826998

IUPACN'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccco1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2O3/c14-13(15,16)9-5-3-8(4-6-9)11(19)17-18-12(20)10-2-1-7-21-10/h1-7H,(H,17,19)(H,18,20)
InChIKeySNOUIUDDWMCTPT-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.37
Rot. Bonds2

About N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide

N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide (PubChem CID 4826998) has the molecular formula C13H9F3N2O3 and a molecular weight of 298.22 g/mol. Its IUPAC name is N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
PubChem CID4826998
Molecular FormulaC13H9F3N2O3
Molecular Weight298.22 g/mol
Exact Mass298.06
IUPAC NameN'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
SMILESO=C(NNC(=O)c1ccco1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9F3N2O3/c14-13(15,16)9-5-3-8(4-6-9)11(19)17-18-12(20)10-2-1-7-21-10/h1-7H,(H,17,19)(H,18,20)
InChIKeySNOUIUDDWMCTPT-UHFFFAOYSA-N
XLogP2.37
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 52.37
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'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 6736260
N'-(3,5-difluorobenzoyl)furan-2-carbohydrazide
CID 6711004
3-[(furan-2-carbonylamino)carbamoyl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2084455
N-[2-[[4-(trifluoromethyl)phenyl]methylcarbamoylamino]ethyl]furan-2-carboxamide
CID 134006588
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 90612194
N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide
CID 8616858
4-tert-butyl-N-[3-[2-(furan-2-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9477234
N-[2-cyano-4-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 115911287
N'-(4-hexylbenzoyl)furan-2-carbohydrazide
CID 6733621
4-tert-butyl-N-[(2S)-1-[2-(furan-2-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9366689
2-(furan-2-carbonylamino)-4-(trifluoromethyl)benzoic acid
CID 79530106

Frequently Asked Questions

What is the IUPAC name of N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide?
The IUPAC name of N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide (CID 4826998) is N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide.
What is the SMILES notation for N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide?
The canonical SMILES for N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide is O=C(NNC(=O)c1ccco1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide?
The InChIKey is SNOUIUDDWMCTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3/c14-13(15,16)9-5-3-8(4-6-9)11(19)17-18-12(20)10-2-1-7-21-10/h1-7H,(H,17,19)(H,18,20).
What are the key properties of N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide?
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide has a molecular weight of 298.22 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide is sourced from PubChem (CID 4826998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).