2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

C14H16ClNO3 — CID 91792621

IUPAC2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)N[C@@H]1C[C@@H]2OCC[C@@H]21
InChIInChI=1S/C14H16ClNO3/c15-9-2-1-3-10(6-9)19-8-14(17)16-12-7-13-11(12)4-5-18-13/h1-3,6,11-13H,4-5,7-8H2,(H,16,17)/t11-,12-,13+/m1/s1
InChIKeyICBQWZJGPYEWDJ-UPJWGTAASA-N
MW281.74 g/mol
LogP2.01
Rot. Bonds4

About 2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide

2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (PubChem CID 91792621) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
PubChem CID91792621
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)N[C@@H]1C[C@@H]2OCC[C@@H]21
InChIInChI=1S/C14H16ClNO3/c15-9-2-1-3-10(6-9)19-8-14(17)16-12-7-13-11(12)4-5-18-13/h1-3,6,11-13H,4-5,7-8H2,(H,16,17)/t11-,12-,13+/m1/s1
InChIKeyICBQWZJGPYEWDJ-UPJWGTAASA-N
XLogP2.01
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide with MolForge

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133265530
N-(2-oxabicyclo[3.2.0]heptan-6-yl)-2-[3-(tetrazol-1-yl)phenoxy]acetamide
CID 156608301
2-(4-fluorophenoxy)-N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 91791644
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3-chlorophenoxy)acetamide
CID 98737694
2-(3-chlorophenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43388716
2-(3-chlorophenoxy)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 2632990
4-[[2-(3-chlorophenoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60810176
2-(3-chlorophenoxy)-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4805342
2-(3-chlorophenoxy)-N-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]acetamide
CID 7818980
3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]propanamide
CID 91761948
2-(2,5-dimethylphenyl)-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide
CID 133267562
N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide
CID 106300559

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide (CID 91792621) is 2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is O=C(COc1cccc(Cl)c1)N[C@@H]1C[C@@H]2OCC[C@@H]21.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
The InChIKey is ICBQWZJGPYEWDJ-UPJWGTAASA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-9-2-1-3-10(6-9)19-8-14(17)16-12-7-13-11(12)4-5-18-13/h1-3,6,11-13H,4-5,7-8H2,(H,16,17)/t11-,12-,13+/m1/s1.
What are the key properties of 2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide?
2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide has a molecular weight of 281.74 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]acetamide is sourced from PubChem (CID 91792621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).