4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide

C14H10F3IN2O — CID 55343394

IUPAC4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide
SMILESO=C(NNc1ccccc1C(F)(F)F)c1ccc(I)cc1
InChIInChI=1S/C14H10F3IN2O/c15-14(16,17)11-3-1-2-4-12(11)19-20-13(21)9-5-7-10(18)8-6-9/h1-8,19H,(H,20,21)
InChIKeyHTQOXGPCAKQMBP-UHFFFAOYSA-N
MW406.15 g/mol
LogP4.07
Rot. Bonds3

About 4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide

4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide (PubChem CID 55343394) has the molecular formula C14H10F3IN2O and a molecular weight of 406.15 g/mol. Its IUPAC name is 4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide.

Molecular Properties

Compound Name4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide
PubChem CID55343394
Molecular FormulaC14H10F3IN2O
Molecular Weight406.15 g/mol
Exact Mass405.98
IUPAC Name4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide
SMILESO=C(NNc1ccccc1C(F)(F)F)c1ccc(I)cc1
InChIInChI=1S/C14H10F3IN2O/c15-14(16,17)11-3-1-2-4-12(11)19-20-13(21)9-5-7-10(18)8-6-9/h1-8,19H,(H,20,21)
InChIKeyHTQOXGPCAKQMBP-UHFFFAOYSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.15
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[2-(trifluoromethyl)anilino]carbamoyl]phenyl]benzenesulfonamide
CID 25469578
N'-[2-(trifluoromethyl)phenyl]thiophene-2-carbohydrazide
CID 2811204
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
[2-(trifluoromethyl)anilino]urea
CID 141255172
N-phenyl-3-[4-[[2-(trifluoromethyl)anilino]carbamoyl]anilino]benzamide
CID 139914006
N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
[4-[[2-(trifluoromethyl)phenyl]carbamoyl]phenyl]boronic acid
CID 44717648
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-iodobenzamide
CID 60712444
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
1-[(4-methoxybenzoyl)amino]-3-[2-(trifluoromethyl)phenyl]urea
CID 5140613
2-methoxy-N,N-dimethyl-5-[[2-(trifluoromethyl)anilino]carbamoyl]benzenesulfonamide
CID 55343291

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide?
The IUPAC name of 4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide (CID 55343394) is 4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide.
What is the SMILES notation for 4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide?
The canonical SMILES for 4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide is O=C(NNc1ccccc1C(F)(F)F)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide?
The InChIKey is HTQOXGPCAKQMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3IN2O/c15-14(16,17)11-3-1-2-4-12(11)19-20-13(21)9-5-7-10(18)8-6-9/h1-8,19H,(H,20,21).
What are the key properties of 4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide?
4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide has a molecular weight of 406.15 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide is sourced from PubChem (CID 55343394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).