2-(1-bicyclo[2.1.0]pentanyl)-N-[[2-(3-chlorophenyl)oxetan-2-yl]methyl]acetamide

C17H20ClNO2 — CID 172583822

IUPAC2-(1-bicyclo[2.1.0]pentanyl)-N-[[2-(3-chlorophenyl)oxetan-2-yl]methyl]acetamide
SMILESO=C(CC12CCC1C2)NCC1(c2cccc(Cl)c2)CCO1
InChIInChI=1S/C17H20ClNO2/c18-14-3-1-2-12(8-14)17(6-7-21-17)11-19-15(20)10-16-5-4-13(16)9-16/h1-3,8,13H,4-7,9-11H2,(H,19,20)
InChIKeyUCOURUJMXISIQS-UHFFFAOYSA-N
MW305.80 g/mol
LogP3.26
Rot. Bonds5

About 2-(1-bicyclo[2.1.0]pentanyl)-N-[[2-(3-chlorophenyl)oxetan-2-yl]methyl]acetamide

2-(1-bicyclo[2.1.0]pentanyl)-N-[[2-(3-chlorophenyl)oxetan-2-yl]methyl]acetamide (PubChem CID 172583822) has the molecular formula C17H20ClNO2 and a molecular weight of 305.80 g/mol. Its IUPAC name is 2-(1-bicyclo[2.1.0]pentanyl)-N-[[2-(3-chlorophenyl)oxetan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-bicyclo[2.1.0]pentanyl)-N-[[2-(3-chlorophenyl)oxetan-2-yl]methyl]acetamide
PubChem CID172583822
Molecular FormulaC17H20ClNO2
Molecular Weight305.80 g/mol
Exact Mass305.12
IUPAC Name2-(1-bicyclo[2.1.0]pentanyl)-N-[[2-(3-chlorophenyl)oxetan-2-yl]methyl]acetamide
SMILESO=C(CC12CCC1C2)NCC1(c2cccc(Cl)c2)CCO1
InChIInChI=1S/C17H20ClNO2/c18-14-3-1-2-12(8-14)17(6-7-21-17)11-19-15(20)10-16-5-4-13(16)9-16/h1-3,8,13H,4-7,9-11H2,(H,19,20)
InChIKeyUCOURUJMXISIQS-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.80
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-bicyclo[2.1.0]pentanyl)-N-[[2-(3-chlorophenyl)oxetan-2-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(2S)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-2-cyclohexylacetamide
CID 172583752
2-(2-bicyclo[2.2.1]heptanyl)-N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]acetamide
CID 172583777
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]propanamide
CID 110441339
N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]-6-oxaspiro[2.5]octane-2-carboxamide
CID 172583580
N-[[(2R)-2-(3-cyanophenyl)oxetan-2-yl]methyl]spiro[3.4]octane-8-carboxamide
CID 172583720
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 119799732
2-(1-adamantyl)-N-[(3-chlorophenyl)methyl]acetamide
CID 2741139
N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119799758
4-[[[4-(3-chlorophenyl)oxane-4-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542936
N-(3-acetamidophenyl)-1-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 110439128
4-(3-chlorophenyl)-N-(2-pyrrolidin-3-ylethyl)oxane-4-carboxamide
CID 119537652

Frequently Asked Questions

What is the IUPAC name of 2-(1-bicyclo[2.1.0]pentanyl)-N-[[2-(3-chlorophenyl)oxetan-2-yl]methyl]acetamide?
The IUPAC name of 2-(1-bicyclo[2.1.0]pentanyl)-N-[[2-(3-chlorophenyl)oxetan-2-yl]methyl]acetamide (CID 172583822) is 2-(1-bicyclo[2.1.0]pentanyl)-N-[[2-(3-chlorophenyl)oxetan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(1-bicyclo[2.1.0]pentanyl)-N-[[2-(3-chlorophenyl)oxetan-2-yl]methyl]acetamide?
The canonical SMILES for 2-(1-bicyclo[2.1.0]pentanyl)-N-[[2-(3-chlorophenyl)oxetan-2-yl]methyl]acetamide is O=C(CC12CCC1C2)NCC1(c2cccc(Cl)c2)CCO1.
What is the InChIKey of 2-(1-bicyclo[2.1.0]pentanyl)-N-[[2-(3-chlorophenyl)oxetan-2-yl]methyl]acetamide?
The InChIKey is UCOURUJMXISIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c18-14-3-1-2-12(8-14)17(6-7-21-17)11-19-15(20)10-16-5-4-13(16)9-16/h1-3,8,13H,4-7,9-11H2,(H,19,20).
What are the key properties of 2-(1-bicyclo[2.1.0]pentanyl)-N-[[2-(3-chlorophenyl)oxetan-2-yl]methyl]acetamide?
2-(1-bicyclo[2.1.0]pentanyl)-N-[[2-(3-chlorophenyl)oxetan-2-yl]methyl]acetamide has a molecular weight of 305.80 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.1.0]pentanyl)-N-[[2-(3-chlorophenyl)oxetan-2-yl]methyl]acetamide is sourced from PubChem (CID 172583822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).