N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethyl-N'-(1-phenylmethoxyethenyl)benzohydrazide

C22H27FN2O2 — CID 67951847

IUPACN-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethyl-N'-(1-phenylmethoxyethenyl)benzohydrazide
SMILESC=C(NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)CF)OCc1ccccc1
InChIInChI=1S/C22H27FN2O2/c1-16-11-17(2)13-20(12-16)21(26)25(22(4,5)15-23)24-18(3)27-14-19-9-7-6-8-10-19/h6-13,24H,3,14-15H2,1-2,4-5H3
InChIKeyNTSCGVMJYQLZDW-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.69
Rot. Bonds8

About N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethyl-N'-(1-phenylmethoxyethenyl)benzohydrazide

N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethyl-N'-(1-phenylmethoxyethenyl)benzohydrazide (PubChem CID 67951847) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethyl-N'-(1-phenylmethoxyethenyl)benzohydrazide.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethyl-N'-(1-phenylmethoxyethenyl)benzohydrazide
PubChem CID67951847
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethyl-N'-(1-phenylmethoxyethenyl)benzohydrazide
SMILESC=C(NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)CF)OCc1ccccc1
InChIInChI=1S/C22H27FN2O2/c1-16-11-17(2)13-20(12-16)21(26)25(22(4,5)15-23)24-18(3)27-14-19-9-7-6-8-10-19/h6-13,24H,3,14-15H2,1-2,4-5H3
InChIKeyNTSCGVMJYQLZDW-UHFFFAOYSA-N
XLogP4.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzyl 2-benzoyl-2-tert-butylhydrazinecarboxylate
CID 682784
Phenyl 2-tert-butyl-2-(3-methylbenzoyl)hydrazinecarboxylate
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CID 76327002
3-(butoxymethyl)-N-tert-butyl-N'-(4-ethylbenzoyl)-5-methylbenzohydrazide
CID 76327003
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-4-fluoro-1-hydroxy-3H-2,1-benzoxaborole-5-carbohydrazide
CID 86281931
[3-[[Tert-butyl-(3,5-dimethylbenzoyl)amino]carbamoyl]-2-fluoro-6-(methoxymethyl)phenyl]boronic acid
CID 86282477
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-4-(methoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydrazide
CID 86282615
[3-[[Tert-butyl-[1-(3,5-dimethylphenyl)ethenyl]amino]carbamoyl]-2-fluoro-6-(methoxymethyl)phenyl]boronic acid
CID 90431994
N'-tert-butyl-N'-(3,5-dimethylbenzoyl)-2-fluoro-3-(hydroperoxymethyl)-4-(methoxymethyl)benzohydrazide
CID 118974887
N'-(3,5-dimethylbenzoyl)-N'-[(3R)-2,2-dimethylpentan-3-yl]-2-fluoro-4-(methoxymethyl)benzohydrazide
CID 148764581
Benzyl 2-tert-butyl-2-(2-fluorobenzoyl)hydrazinecarboxylate
CID 1233993
(3-methylphenyl)methyl N-[(2-fluorobenzoyl)amino]carbamate
CID 4090019

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethyl-N'-(1-phenylmethoxyethenyl)benzohydrazide?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethyl-N'-(1-phenylmethoxyethenyl)benzohydrazide (CID 67951847) is N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethyl-N'-(1-phenylmethoxyethenyl)benzohydrazide.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethyl-N'-(1-phenylmethoxyethenyl)benzohydrazide?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethyl-N'-(1-phenylmethoxyethenyl)benzohydrazide is C=C(NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)CF)OCc1ccccc1.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethyl-N'-(1-phenylmethoxyethenyl)benzohydrazide?
The InChIKey is NTSCGVMJYQLZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-16-11-17(2)13-20(12-16)21(26)25(22(4,5)15-23)24-18(3)27-14-19-9-7-6-8-10-19/h6-13,24H,3,14-15H2,1-2,4-5H3.
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethyl-N'-(1-phenylmethoxyethenyl)benzohydrazide?
N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethyl-N'-(1-phenylmethoxyethenyl)benzohydrazide has a molecular weight of 370.47 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)-3,5-dimethyl-N'-(1-phenylmethoxyethenyl)benzohydrazide is sourced from PubChem (CID 67951847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).