N'-(2-cyclohexylacetyl)-3,5-bis(trifluoromethyl)benzohydrazide

C17H18F6N2O2 — CID 3977040

IUPACN'-(2-cyclohexylacetyl)-3,5-bis(trifluoromethyl)benzohydrazide
SMILESO=C(CC1CCCCC1)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H18F6N2O2/c18-16(19,20)12-7-11(8-13(9-12)17(21,22)23)15(27)25-24-14(26)6-10-4-2-1-3-5-10/h7-10H,1-6H2,(H,24,26)(H,25,27)
InChIKeyJHINHIQBYMUBLZ-UHFFFAOYSA-N
MW396.33 g/mol
LogP4.46
Rot. Bonds3

About N'-(2-cyclohexylacetyl)-3,5-bis(trifluoromethyl)benzohydrazide

N'-(2-cyclohexylacetyl)-3,5-bis(trifluoromethyl)benzohydrazide (PubChem CID 3977040) has the molecular formula C17H18F6N2O2 and a molecular weight of 396.33 g/mol. Its IUPAC name is N'-(2-cyclohexylacetyl)-3,5-bis(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(2-cyclohexylacetyl)-3,5-bis(trifluoromethyl)benzohydrazide
PubChem CID3977040
Molecular FormulaC17H18F6N2O2
Molecular Weight396.33 g/mol
Exact Mass396.13
IUPAC NameN'-(2-cyclohexylacetyl)-3,5-bis(trifluoromethyl)benzohydrazide
SMILESO=C(CC1CCCCC1)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C17H18F6N2O2/c18-16(19,20)12-7-11(8-13(9-12)17(21,22)23)15(27)25-24-14(26)6-10-4-2-1-3-5-10/h7-10H,1-6H2,(H,24,26)(H,25,27)
InChIKeyJHINHIQBYMUBLZ-UHFFFAOYSA-N
XLogP4.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[(2-cyclopentylacetyl)amino]carbamoyl]phenyl]acetamide
CID 54786522
N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 123412557
N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 119461836
N-[2-(cyclobutylamino)-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 91363286
[[3,5-bis(trifluoromethyl)benzoyl]amino]thiourea
CID 2743161
3-[[(2-cyclopentylacetyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 2712357
2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55447256
N'-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]-3,5-bis(trifluoromethyl)benzohydrazide
CID 2820248
1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclobutylidene-N-(cyclohexylmethyl)methanamine
CID 143903092
3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 125420338
N'-(4-cyclohexylbutanoyl)-3,5-dimethoxybenzohydrazide
CID 9496167
N'-(4-cyclohexylbutanoyl)-4-fluorobenzohydrazide
CID 9340834

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyclohexylacetyl)-3,5-bis(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-(2-cyclohexylacetyl)-3,5-bis(trifluoromethyl)benzohydrazide (CID 3977040) is N'-(2-cyclohexylacetyl)-3,5-bis(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-(2-cyclohexylacetyl)-3,5-bis(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-(2-cyclohexylacetyl)-3,5-bis(trifluoromethyl)benzohydrazide is O=C(CC1CCCCC1)NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N'-(2-cyclohexylacetyl)-3,5-bis(trifluoromethyl)benzohydrazide?
The InChIKey is JHINHIQBYMUBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F6N2O2/c18-16(19,20)12-7-11(8-13(9-12)17(21,22)23)15(27)25-24-14(26)6-10-4-2-1-3-5-10/h7-10H,1-6H2,(H,24,26)(H,25,27).
What are the key properties of N'-(2-cyclohexylacetyl)-3,5-bis(trifluoromethyl)benzohydrazide?
N'-(2-cyclohexylacetyl)-3,5-bis(trifluoromethyl)benzohydrazide has a molecular weight of 396.33 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyclohexylacetyl)-3,5-bis(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 3977040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).