(2S)-N-[1-(3-chlorophenyl)cyclopropyl]-2-methyloxane-2-carboxamide

C16H20ClNO2 — CID 125443348

IUPAC(2S)-N-[1-(3-chlorophenyl)cyclopropyl]-2-methyloxane-2-carboxamide
SMILESC[C@@]1(C(=O)NC2(c3cccc(Cl)c3)CC2)CCCCO1
InChIInChI=1S/C16H20ClNO2/c1-15(7-2-3-10-20-15)14(19)18-16(8-9-16)12-5-4-6-13(17)11-12/h4-6,11H,2-3,7-10H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyLMRGYAVPJVSYNE-HNNXBMFYSA-N
MW293.79 g/mol
LogP3.40
Rot. Bonds3

About (2S)-N-[1-(3-chlorophenyl)cyclopropyl]-2-methyloxane-2-carboxamide

(2S)-N-[1-(3-chlorophenyl)cyclopropyl]-2-methyloxane-2-carboxamide (PubChem CID 125443348) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is (2S)-N-[1-(3-chlorophenyl)cyclopropyl]-2-methyloxane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(3-chlorophenyl)cyclopropyl]-2-methyloxane-2-carboxamide
PubChem CID125443348
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name(2S)-N-[1-(3-chlorophenyl)cyclopropyl]-2-methyloxane-2-carboxamide
SMILESC[C@@]1(C(=O)NC2(c3cccc(Cl)c3)CC2)CCCCO1
InChIInChI=1S/C16H20ClNO2/c1-15(7-2-3-10-20-15)14(19)18-16(8-9-16)12-5-4-6-13(17)11-12/h4-6,11H,2-3,7-10H2,1H3,(H,18,19)/t15-/m0/s1
InChIKeyLMRGYAVPJVSYNE-HNNXBMFYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(3-chlorophenyl)cyclopropyl]-2-methyloxane-2-carboxamide?
The IUPAC name of (2S)-N-[1-(3-chlorophenyl)cyclopropyl]-2-methyloxane-2-carboxamide (CID 125443348) is (2S)-N-[1-(3-chlorophenyl)cyclopropyl]-2-methyloxane-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(3-chlorophenyl)cyclopropyl]-2-methyloxane-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(3-chlorophenyl)cyclopropyl]-2-methyloxane-2-carboxamide is C[C@@]1(C(=O)NC2(c3cccc(Cl)c3)CC2)CCCCO1.
What is the InChIKey of (2S)-N-[1-(3-chlorophenyl)cyclopropyl]-2-methyloxane-2-carboxamide?
The InChIKey is LMRGYAVPJVSYNE-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-15(7-2-3-10-20-15)14(19)18-16(8-9-16)12-5-4-6-13(17)11-12/h4-6,11H,2-3,7-10H2,1H3,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-N-[1-(3-chlorophenyl)cyclopropyl]-2-methyloxane-2-carboxamide?
(2S)-N-[1-(3-chlorophenyl)cyclopropyl]-2-methyloxane-2-carboxamide has a molecular weight of 293.79 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(3-chlorophenyl)cyclopropyl]-2-methyloxane-2-carboxamide is sourced from PubChem (CID 125443348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).