N'-(3-amino-4-cyclohexyl-2-hydroxybutanoyl)-4-(trifluoromethyl)benzohydrazide

C18H24F3N3O3 — CID 10221801

IUPACN'-(3-amino-4-cyclohexyl-2-hydroxybutanoyl)-4-(trifluoromethyl)benzohydrazide
SMILESNC(CC1CCCCC1)C(O)C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3N3O3/c19-18(20,21)13-8-6-12(7-9-13)16(26)23-24-17(27)15(25)14(22)10-11-4-2-1-3-5-11/h6-9,11,14-15,25H,1-5,10,22H2,(H,23,26)(H,24,27)
InChIKeyXXJTWNNWGBTTCX-UHFFFAOYSA-N
MW387.40 g/mol
LogP2.12
Rot. Bonds5

About N'-(3-amino-4-cyclohexyl-2-hydroxybutanoyl)-4-(trifluoromethyl)benzohydrazide

N'-(3-amino-4-cyclohexyl-2-hydroxybutanoyl)-4-(trifluoromethyl)benzohydrazide (PubChem CID 10221801) has the molecular formula C18H24F3N3O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is N'-(3-amino-4-cyclohexyl-2-hydroxybutanoyl)-4-(trifluoromethyl)benzohydrazide.

Molecular Properties

Compound NameN'-(3-amino-4-cyclohexyl-2-hydroxybutanoyl)-4-(trifluoromethyl)benzohydrazide
PubChem CID10221801
Molecular FormulaC18H24F3N3O3
Molecular Weight387.40 g/mol
Exact Mass387.18
IUPAC NameN'-(3-amino-4-cyclohexyl-2-hydroxybutanoyl)-4-(trifluoromethyl)benzohydrazide
SMILESNC(CC1CCCCC1)C(O)C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3N3O3/c19-18(20,21)13-8-6-12(7-9-13)16(26)23-24-17(27)15(25)14(22)10-11-4-2-1-3-5-11/h6-9,11,14-15,25H,1-5,10,22H2,(H,23,26)(H,24,27)
InChIKeyXXJTWNNWGBTTCX-UHFFFAOYSA-N
XLogP2.12
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(3-amino-4-cyclohexyl-2-hydroxybutanoyl)-4-(trifluoromethyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(3-amino-4-cyclohexyl-2-hydroxybutanoyl)-4-(trifluoromethyl)benzohydrazide?
The IUPAC name of N'-(3-amino-4-cyclohexyl-2-hydroxybutanoyl)-4-(trifluoromethyl)benzohydrazide (CID 10221801) is N'-(3-amino-4-cyclohexyl-2-hydroxybutanoyl)-4-(trifluoromethyl)benzohydrazide.
What is the SMILES notation for N'-(3-amino-4-cyclohexyl-2-hydroxybutanoyl)-4-(trifluoromethyl)benzohydrazide?
The canonical SMILES for N'-(3-amino-4-cyclohexyl-2-hydroxybutanoyl)-4-(trifluoromethyl)benzohydrazide is NC(CC1CCCCC1)C(O)C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-(3-amino-4-cyclohexyl-2-hydroxybutanoyl)-4-(trifluoromethyl)benzohydrazide?
The InChIKey is XXJTWNNWGBTTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3O3/c19-18(20,21)13-8-6-12(7-9-13)16(26)23-24-17(27)15(25)14(22)10-11-4-2-1-3-5-11/h6-9,11,14-15,25H,1-5,10,22H2,(H,23,26)(H,24,27).
What are the key properties of N'-(3-amino-4-cyclohexyl-2-hydroxybutanoyl)-4-(trifluoromethyl)benzohydrazide?
N'-(3-amino-4-cyclohexyl-2-hydroxybutanoyl)-4-(trifluoromethyl)benzohydrazide has a molecular weight of 387.40 g/mol, XLogP of 2.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-amino-4-cyclohexyl-2-hydroxybutanoyl)-4-(trifluoromethyl)benzohydrazide is sourced from PubChem (CID 10221801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).