2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

C15H18ClNO3 — CID 133265530

IUPAC2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N[C@@H]1C[C@H]2OCC[C@@H]12
InChIInChI=1S/C15H18ClNO3/c1-9-6-10(16)2-3-13(9)20-8-15(18)17-12-7-14-11(12)4-5-19-14/h2-3,6,11-12,14H,4-5,7-8H2,1H3,(H,17,18)/t11-,12+,14+/m0/s1
InChIKeyVAVAOBZGNVBRRU-OUCADQQQSA-N
MW295.77 g/mol
LogP2.32
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (PubChem CID 133265530) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
PubChem CID133265530
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)N[C@@H]1C[C@H]2OCC[C@@H]12
InChIInChI=1S/C15H18ClNO3/c1-9-6-10(16)2-3-13(9)20-8-15(18)17-12-7-14-11(12)4-5-19-14/h2-3,6,11-12,14H,4-5,7-8H2,1H3,(H,17,18)/t11-,12+,14+/m0/s1
InChIKeyVAVAOBZGNVBRRU-OUCADQQQSA-N
XLogP2.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide with MolForge

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide
CID 166269611
N-[2-(aminomethyl)cyclopentyl]-2-(4-chloro-2-methylphenoxy)acetamide;hydrochloride
CID 119600494
2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91791644
(2R)-N'-[2-(4-chloro-2-methylphenoxy)acetyl]oxolane-2-carbohydrazide
CID 774185
2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133267562
2-(4-chloro-2-methylphenoxy)-N-(3-hydroxy-2,2-dimethylcyclobutyl)acetamide
CID 114630844
2-(4-chloro-2-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 870399
2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone
CID 63906456
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 91761948
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-cyclopropylpropanoic acid
CID 81368508
[[2-(4-chloro-2-methylphenoxy)acetyl]amino] acetate
CID 154313785

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (CID 133265530) is 2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is Cc1cc(Cl)ccc1OCC(=O)N[C@@H]1C[C@H]2OCC[C@@H]12.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The InChIKey is VAVAOBZGNVBRRU-OUCADQQQSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-9-6-10(16)2-3-13(9)20-8-15(18)17-12-7-14-11(12)4-5-19-14/h2-3,6,11-12,14H,4-5,7-8H2,1H3,(H,17,18)/t11-,12+,14+/m0/s1.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide has a molecular weight of 295.77 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is sourced from PubChem (CID 133265530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).