3-cyclohexyl-N'-(3,5-dichlorophenyl)-N,3-dihydroxypropanimidamide

C15H20Cl2N2O2 — CID 118569601

IUPAC3-cyclohexyl-N'-(3,5-dichlorophenyl)-N,3-dihydroxypropanimidamide
SMILESON/C(CC(O)C1CCCCC1)=N\c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H20Cl2N2O2/c16-11-6-12(17)8-13(7-11)18-15(19-21)9-14(20)10-4-2-1-3-5-10/h6-8,10,14,20-21H,1-5,9H2,(H,18,19)
InChIKeyZXJFYCSFLZWWDA-UHFFFAOYSA-N
MW331.24 g/mol
LogP4.33
Rot. Bonds4

About 3-cyclohexyl-N'-(3,5-dichlorophenyl)-N,3-dihydroxypropanimidamide

3-cyclohexyl-N'-(3,5-dichlorophenyl)-N,3-dihydroxypropanimidamide (PubChem CID 118569601) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 3-cyclohexyl-N'-(3,5-dichlorophenyl)-N,3-dihydroxypropanimidamide.

Molecular Properties

Compound Name3-cyclohexyl-N'-(3,5-dichlorophenyl)-N,3-dihydroxypropanimidamide
PubChem CID118569601
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name3-cyclohexyl-N'-(3,5-dichlorophenyl)-N,3-dihydroxypropanimidamide
SMILESON/C(CC(O)C1CCCCC1)=N\c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H20Cl2N2O2/c16-11-6-12(17)8-13(7-11)18-15(19-21)9-14(20)10-4-2-1-3-5-10/h6-8,10,14,20-21H,1-5,9H2,(H,18,19)
InChIKeyZXJFYCSFLZWWDA-UHFFFAOYSA-N
XLogP4.33
TPSA64.85 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 3-cyclohexyl-N'-(3,5-dichlorophenyl)-N,3-dihydroxypropanimidamide?
The IUPAC name of 3-cyclohexyl-N'-(3,5-dichlorophenyl)-N,3-dihydroxypropanimidamide (CID 118569601) is 3-cyclohexyl-N'-(3,5-dichlorophenyl)-N,3-dihydroxypropanimidamide.
What is the SMILES notation for 3-cyclohexyl-N'-(3,5-dichlorophenyl)-N,3-dihydroxypropanimidamide?
The canonical SMILES for 3-cyclohexyl-N'-(3,5-dichlorophenyl)-N,3-dihydroxypropanimidamide is ON/C(CC(O)C1CCCCC1)=N\c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-cyclohexyl-N'-(3,5-dichlorophenyl)-N,3-dihydroxypropanimidamide?
The InChIKey is ZXJFYCSFLZWWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c16-11-6-12(17)8-13(7-11)18-15(19-21)9-14(20)10-4-2-1-3-5-10/h6-8,10,14,20-21H,1-5,9H2,(H,18,19).
What are the key properties of 3-cyclohexyl-N'-(3,5-dichlorophenyl)-N,3-dihydroxypropanimidamide?
3-cyclohexyl-N'-(3,5-dichlorophenyl)-N,3-dihydroxypropanimidamide has a molecular weight of 331.24 g/mol, XLogP of 4.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N'-(3,5-dichlorophenyl)-N,3-dihydroxypropanimidamide is sourced from PubChem (CID 118569601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).