4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide

C21H22N2O3 — CID 85330831

IUPAC4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide
SMILESCC(=O)c1ccccc1Oc1ccc(C(=O)NC2CC3CCC2N3)cc1
InChIInChI=1S/C21H22N2O3/c1-13(24)17-4-2-3-5-20(17)26-16-9-6-14(7-10-16)21(25)23-19-12-15-8-11-18(19)22-15/h2-7,9-10,15,18-19,22H,8,11-12H2,1H3,(H,23,25)
InChIKeyCMWDVATWYRZTFO-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.30
Rot. Bonds5

About 4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide

4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide (PubChem CID 85330831) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide.

Molecular Properties

Compound Name4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide
PubChem CID85330831
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide
SMILESCC(=O)c1ccccc1Oc1ccc(C(=O)NC2CC3CCC2N3)cc1
InChIInChI=1S/C21H22N2O3/c1-13(24)17-4-2-3-5-20(17)26-16-9-6-14(7-10-16)21(25)23-19-12-15-8-11-18(19)22-15/h2-7,9-10,15,18-19,22H,8,11-12H2,1H3,(H,23,25)
InChIKeyCMWDVATWYRZTFO-UHFFFAOYSA-N
XLogP3.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide
CID 85078315
N-(7-azabicyclo[2.2.1]heptan-2-yl)-4-[(2-methoxy-1,3-oxazol-5-yl)oxy]benzamide
CID 85054455
N-(7-azabicyclo[2.2.1]heptan-2-yl)-8-methoxynaphthalene-2-carboxamide
CID 22243407
3-acetyl-N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-1-benzofuran-5-carboxamide
CID 90841268
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide
CID 10109523
1-[2-(4-fluorophenoxy)phenyl]ethanone
CID 10633209
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-(5-morpholin-4-ylthiophen-2-yl)oxybenzamide
CID 10222578
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide
CID 10272400
4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-5-yl)benzamide
CID 22573485
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide
CID 70026018
N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-(2-fluorophenoxy)benzamide
CID 22573318
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(2-methoxyphenyl)furan-2-carboxamide
CID 18535430

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide?
The IUPAC name of 4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide (CID 85330831) is 4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide.
What is the SMILES notation for 4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide?
The canonical SMILES for 4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide is CC(=O)c1ccccc1Oc1ccc(C(=O)NC2CC3CCC2N3)cc1.
What is the InChIKey of 4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide?
The InChIKey is CMWDVATWYRZTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13(24)17-4-2-3-5-20(17)26-16-9-6-14(7-10-16)21(25)23-19-12-15-8-11-18(19)22-15/h2-7,9-10,15,18-19,22H,8,11-12H2,1H3,(H,23,25).
What are the key properties of 4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide?
4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide is sourced from PubChem (CID 85330831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).