(3R)-3-amino-4-cyclohexyl-N-(2,4-difluorophenyl)-2-hydroxybutanehydrazide

C16H23F2N3O2 — CID 10359067

IUPAC(3R)-3-amino-4-cyclohexyl-N-(2,4-difluorophenyl)-2-hydroxybutanehydrazide
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)N(N)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2N3O2/c17-11-6-7-14(12(18)9-11)21(20)16(23)15(22)13(19)8-10-4-2-1-3-5-10/h6-7,9-10,13,15,22H,1-5,8,19-20H2/t13-,15?/m1/s1
InChIKeyPVIIONNLLJVNTK-AFYYWNPRSA-N
MW327.38 g/mol
LogP1.83
Rot. Bonds5

About (3R)-3-amino-4-cyclohexyl-N-(2,4-difluorophenyl)-2-hydroxybutanehydrazide

(3R)-3-amino-4-cyclohexyl-N-(2,4-difluorophenyl)-2-hydroxybutanehydrazide (PubChem CID 10359067) has the molecular formula C16H23F2N3O2 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-N-(2,4-difluorophenyl)-2-hydroxybutanehydrazide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-N-(2,4-difluorophenyl)-2-hydroxybutanehydrazide
PubChem CID10359067
Molecular FormulaC16H23F2N3O2
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC Name(3R)-3-amino-4-cyclohexyl-N-(2,4-difluorophenyl)-2-hydroxybutanehydrazide
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)N(N)c1ccc(F)cc1F
InChIInChI=1S/C16H23F2N3O2/c17-11-6-7-14(12(18)9-11)21(20)16(23)15(22)13(19)8-10-4-2-1-3-5-10/h6-7,9-10,13,15,22H,1-5,8,19-20H2/t13-,15?/m1/s1
InChIKeyPVIIONNLLJVNTK-AFYYWNPRSA-N
XLogP1.83
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-N-(2,4-difluorophenyl)-2-hydroxybutanehydrazide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-N-(2,4-difluorophenyl)-2-hydroxybutanehydrazide (CID 10359067) is (3R)-3-amino-4-cyclohexyl-N-(2,4-difluorophenyl)-2-hydroxybutanehydrazide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-N-(2,4-difluorophenyl)-2-hydroxybutanehydrazide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-N-(2,4-difluorophenyl)-2-hydroxybutanehydrazide is N[C@H](CC1CCCCC1)C(O)C(=O)N(N)c1ccc(F)cc1F.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-N-(2,4-difluorophenyl)-2-hydroxybutanehydrazide?
The InChIKey is PVIIONNLLJVNTK-AFYYWNPRSA-N. The full InChI is InChI=1S/C16H23F2N3O2/c17-11-6-7-14(12(18)9-11)21(20)16(23)15(22)13(19)8-10-4-2-1-3-5-10/h6-7,9-10,13,15,22H,1-5,8,19-20H2/t13-,15?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-N-(2,4-difluorophenyl)-2-hydroxybutanehydrazide?
(3R)-3-amino-4-cyclohexyl-N-(2,4-difluorophenyl)-2-hydroxybutanehydrazide has a molecular weight of 327.38 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-N-(2,4-difluorophenyl)-2-hydroxybutanehydrazide is sourced from PubChem (CID 10359067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).