2-(4-chlorophenoxy)-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide

C20H19ClN2O3 — CID 7526941

IUPAC2-(4-chlorophenoxy)-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C20H19ClN2O3/c21-15-4-6-17(7-5-15)26-12-18(24)22-16-10-13-2-1-9-23-19(25)8-3-14(11-16)20(13)23/h4-7,10-11H,1-3,8-9,12H2,(H,22,24)
InChIKeyOEEKHAUWVQKRIM-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.58
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide

2-(4-chlorophenoxy)-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide (PubChem CID 7526941) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide
PubChem CID7526941
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name2-(4-chlorophenoxy)-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide
SMILESO=C(COc1ccc(Cl)cc1)Nc1cc2c3c(c1)CCC(=O)N3CCC2
InChIInChI=1S/C20H19ClN2O3/c21-15-4-6-17(7-5-15)26-12-18(24)22-16-10-13-2-1-9-23-19(25)8-3-14(11-16)20(13)23/h4-7,10-11H,1-3,8-9,12H2,(H,22,24)
InChIKeyOEEKHAUWVQKRIM-UHFFFAOYSA-N
XLogP3.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide
CID 7384422
N-(3-chlorophenyl)-N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)oxamide
CID 16823302
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964
2-ethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide
CID 7526527
N-(4-acetamidophenyl)-N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)oxamide
CID 16823321
N-[2-(4-chlorophenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26663251
N-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384316
N-(3-methoxyphenyl)-N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)oxamide
CID 16823305
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273
N-(2-hydroxyethyl)-N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)oxamide
CID 16823284
2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 6491422
methyl 2-[[4-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]benzoyl]amino]acetate
CID 32622035

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide (CID 7526941) is 2-(4-chlorophenoxy)-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide is O=C(COc1ccc(Cl)cc1)Nc1cc2c3c(c1)CCC(=O)N3CCC2.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide?
The InChIKey is OEEKHAUWVQKRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c21-15-4-6-17(7-5-15)26-12-18(24)22-16-10-13-2-1-9-23-19(25)8-3-14(11-16)20(13)23/h4-7,10-11H,1-3,8-9,12H2,(H,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide?
2-(4-chlorophenoxy)-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide has a molecular weight of 370.84 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide is sourced from PubChem (CID 7526941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).