(2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-phenyl-1,4-dioxane-2-carboxamide

C19H20ClNO3 — CID 95972706

IUPAC(2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-phenyl-1,4-dioxane-2-carboxamide
SMILESC[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1COCCO1)c1ccccc1
InChIInChI=1S/C19H20ClNO3/c1-14(15-7-9-16(20)10-8-15)21(17-5-3-2-4-6-17)19(22)18-13-23-11-12-24-18/h2-10,14,18H,11-13H2,1H3/t14-,18+/m0/s1
InChIKeyPMJKGYPAOOSFLW-KBXCAEBGSA-N
MW345.83 g/mol
LogP3.85
Rot. Bonds4

About (2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-phenyl-1,4-dioxane-2-carboxamide

(2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-phenyl-1,4-dioxane-2-carboxamide (PubChem CID 95972706) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-phenyl-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-phenyl-1,4-dioxane-2-carboxamide
PubChem CID95972706
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name(2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-phenyl-1,4-dioxane-2-carboxamide
SMILESC[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1COCCO1)c1ccccc1
InChIInChI=1S/C19H20ClNO3/c1-14(15-7-9-16(20)10-8-15)21(17-5-3-2-4-6-17)19(22)18-13-23-11-12-24-18/h2-10,14,18H,11-13H2,1H3/t14-,18+/m0/s1
InChIKeyPMJKGYPAOOSFLW-KBXCAEBGSA-N
XLogP3.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-phenyl-1,4-dioxane-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-phenyl-1,4-dioxane-2-carboxamide (CID 95972706) is (2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-phenyl-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-phenyl-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-phenyl-1,4-dioxane-2-carboxamide is C[C@@H](c1ccc(Cl)cc1)N(C(=O)[C@H]1COCCO1)c1ccccc1.
What is the InChIKey of (2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-phenyl-1,4-dioxane-2-carboxamide?
The InChIKey is PMJKGYPAOOSFLW-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-14(15-7-9-16(20)10-8-15)21(17-5-3-2-4-6-17)19(22)18-13-23-11-12-24-18/h2-10,14,18H,11-13H2,1H3/t14-,18+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-phenyl-1,4-dioxane-2-carboxamide?
(2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-phenyl-1,4-dioxane-2-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-N-phenyl-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 95972706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).