(2R)-N-[1-(3,4-dichlorophenyl)cyclopropyl]-1,4-dioxane-2-carboxamide

C14H15Cl2NO3 — CID 94216385

IUPAC(2R)-N-[1-(3,4-dichlorophenyl)cyclopropyl]-1,4-dioxane-2-carboxamide
SMILESO=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)[C@H]1COCCO1
InChIInChI=1S/C14H15Cl2NO3/c15-10-2-1-9(7-11(10)16)14(3-4-14)17-13(18)12-8-19-5-6-20-12/h1-2,7,12H,3-6,8H2,(H,17,18)/t12-/m1/s1
InChIKeyWVXZZVDAATXPAO-GFCCVEGCSA-N
MW316.18 g/mol
LogP2.51
Rot. Bonds3

About (2R)-N-[1-(3,4-dichlorophenyl)cyclopropyl]-1,4-dioxane-2-carboxamide

(2R)-N-[1-(3,4-dichlorophenyl)cyclopropyl]-1,4-dioxane-2-carboxamide (PubChem CID 94216385) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is (2R)-N-[1-(3,4-dichlorophenyl)cyclopropyl]-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(3,4-dichlorophenyl)cyclopropyl]-1,4-dioxane-2-carboxamide
PubChem CID94216385
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name(2R)-N-[1-(3,4-dichlorophenyl)cyclopropyl]-1,4-dioxane-2-carboxamide
SMILESO=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)[C@H]1COCCO1
InChIInChI=1S/C14H15Cl2NO3/c15-10-2-1-9(7-11(10)16)14(3-4-14)17-13(18)12-8-19-5-6-20-12/h1-2,7,12H,3-6,8H2,(H,17,18)/t12-/m1/s1
InChIKeyWVXZZVDAATXPAO-GFCCVEGCSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(3,4-dichlorophenyl)cyclopropyl]-1,4-dioxane-2-carboxamide?
The IUPAC name of (2R)-N-[1-(3,4-dichlorophenyl)cyclopropyl]-1,4-dioxane-2-carboxamide (CID 94216385) is (2R)-N-[1-(3,4-dichlorophenyl)cyclopropyl]-1,4-dioxane-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(3,4-dichlorophenyl)cyclopropyl]-1,4-dioxane-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(3,4-dichlorophenyl)cyclopropyl]-1,4-dioxane-2-carboxamide is O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)[C@H]1COCCO1.
What is the InChIKey of (2R)-N-[1-(3,4-dichlorophenyl)cyclopropyl]-1,4-dioxane-2-carboxamide?
The InChIKey is WVXZZVDAATXPAO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c15-10-2-1-9(7-11(10)16)14(3-4-14)17-13(18)12-8-19-5-6-20-12/h1-2,7,12H,3-6,8H2,(H,17,18)/t12-/m1/s1.
What are the key properties of (2R)-N-[1-(3,4-dichlorophenyl)cyclopropyl]-1,4-dioxane-2-carboxamide?
(2R)-N-[1-(3,4-dichlorophenyl)cyclopropyl]-1,4-dioxane-2-carboxamide has a molecular weight of 316.18 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(3,4-dichlorophenyl)cyclopropyl]-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 94216385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).