(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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Related Compounds

N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
2-amino-N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110459406
N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
CID 110440424
1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea
CID 110490719
2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide
CID 110440796
N-[1-(3-chlorophenyl)cyclopentyl]-4-(dimethylamino)benzamide
CID 110444472
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
3-amino-N-[1-(3-chlorophenyl)cyclopropyl]-2-methylbutanamide;hydrochloride
CID 120501433
N-[1-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(methylamino)propanamide
CID 119799433
(2R)-N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-methyloxolane-2-carboxamide
CID 96537558
N-[1-(3-chlorophenyl)cyclopropyl]-2-morpholin-4-ylacetamide
CID 110444239

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).