2-(4-chlorophenyl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide

C19H17ClN2O2 — CID 7384422

IUPAC2-(4-chlorophenyl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C19H17ClN2O2/c20-15-5-3-12(4-6-15)8-17(23)21-16-9-13-2-1-7-22-18(24)11-14(10-16)19(13)22/h3-6,9-10H,1-2,7-8,11H2,(H,21,23)
InChIKeyMOXAJFJRSKGLRD-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.36
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide

2-(4-chlorophenyl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide (PubChem CID 7384422) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide
PubChem CID7384422
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name2-(4-chlorophenyl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cc2c3c(c1)CC(=O)N3CCC2
InChIInChI=1S/C19H17ClN2O2/c20-15-5-3-12(4-6-15)8-17(23)21-16-9-13-2-1-7-22-18(24)11-14(10-16)19(13)22/h3-6,9-10H,1-2,7-8,11H2,(H,21,23)
InChIKeyMOXAJFJRSKGLRD-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384316
2-(4-chlorophenoxy)-N-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)acetamide
CID 7526941
N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)pentanamide
CID 7526529
2-ethoxy-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide
CID 7526527
2-(4-chlorophenyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 2634509
N-(4-ethylphenyl)-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-carboxamide
CID 110384310
N-[2-(4-fluorophenyl)ethyl]-N'-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
CID 7384488
6-(2-oxopropyl)-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
CID 116993333
3,5-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
CID 7526524
3,4-dimethyl-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
CID 7384436
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-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)-3-(trifluoromethyl)benzamide
CID 7384427

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide (CID 7384422) is 2-(4-chlorophenyl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide is O=C(Cc1ccc(Cl)cc1)Nc1cc2c3c(c1)CC(=O)N3CCC2.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide?
The InChIKey is MOXAJFJRSKGLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c20-15-5-3-12(4-6-15)8-17(23)21-16-9-13-2-1-7-22-18(24)11-14(10-16)19(13)22/h3-6,9-10H,1-2,7-8,11H2,(H,21,23).
What are the key properties of 2-(4-chlorophenyl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide?
2-(4-chlorophenyl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide has a molecular weight of 340.81 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)acetamide is sourced from PubChem (CID 7384422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).