2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclohexylacetamide

C19H25ClFN3O2 — CID 20968805

IUPAC2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclohexylacetamide
SMILESO=C(CN1CCCN(Cc2ccc(F)cc2Cl)C1=O)NC1CCCCC1
InChIInChI=1S/C19H25ClFN3O2/c20-17-11-15(21)8-7-14(17)12-23-9-4-10-24(19(23)26)13-18(25)22-16-5-2-1-3-6-16/h7-8,11,16H,1-6,9-10,12-13H2,(H,22,25)
InChIKeyCQZCUZUWNNXMMK-UHFFFAOYSA-N
MW381.88 g/mol
LogP3.56
Rot. Bonds5

About 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclohexylacetamide

2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclohexylacetamide (PubChem CID 20968805) has the molecular formula C19H25ClFN3O2 and a molecular weight of 381.88 g/mol. Its IUPAC name is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclohexylacetamide
PubChem CID20968805
Molecular FormulaC19H25ClFN3O2
Molecular Weight381.88 g/mol
Exact Mass381.16
IUPAC Name2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclohexylacetamide
SMILESO=C(CN1CCCN(Cc2ccc(F)cc2Cl)C1=O)NC1CCCCC1
InChIInChI=1S/C19H25ClFN3O2/c20-17-11-15(21)8-7-14(17)12-23-9-4-10-24(19(23)26)13-18(25)22-16-5-2-1-3-6-16/h7-8,11,16H,1-6,9-10,12-13H2,(H,22,25)
InChIKeyCQZCUZUWNNXMMK-UHFFFAOYSA-N
XLogP3.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.88
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclohexylacetamide (CID 20968805) is 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclohexylacetamide is O=C(CN1CCCN(Cc2ccc(F)cc2Cl)C1=O)NC1CCCCC1.
What is the InChIKey of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclohexylacetamide?
The InChIKey is CQZCUZUWNNXMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClFN3O2/c20-17-11-15(21)8-7-14(17)12-23-9-4-10-24(19(23)26)13-18(25)22-16-5-2-1-3-6-16/h7-8,11,16H,1-6,9-10,12-13H2,(H,22,25).
What are the key properties of 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclohexylacetamide?
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclohexylacetamide has a molecular weight of 381.88 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 20968805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).