N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide

C19H20N2O2 — CID 22573649

IUPACN-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
SMILESO=C(NC1CN2CCC1C2)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c22-19(20-18-13-21-11-10-15(18)12-21)14-6-8-17(9-7-14)23-16-4-2-1-3-5-16/h1-9,15,18H,10-13H2,(H,20,22)
InChIKeyREGFMXHUVIIKQO-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.91
Rot. Bonds4

About N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide

N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide (PubChem CID 22573649) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
PubChem CID22573649
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
SMILESO=C(NC1CN2CCC1C2)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H20N2O2/c22-19(20-18-13-21-11-10-15(18)12-21)14-6-8-17(9-7-14)23-16-4-2-1-3-5-16/h1-9,15,18H,10-13H2,(H,20,22)
InChIKeyREGFMXHUVIIKQO-UHFFFAOYSA-N
XLogP2.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(4-chlorophenoxy)benzamide
CID 22573492
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(5-methylfuran-2-yl)oxybenzamide
CID 22573289
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(3-methoxyphenoxy)benzamide
CID 10154995
3-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenoxy]benzamide
CID 18337457
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-(1,3-thiazol-2-yloxy)benzamide
CID 22573704
N-(1-azabicyclo[2.2.2]octan-3-yl)benzamide;hydrochloride
CID 19766290
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(2-sulfamoylphenoxy)benzamide
CID 18383961
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide
CID 10471783
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(4-phenoxyphenyl)prop-2-enamide
CID 67845572
4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 22897176
N-[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl]-4-phenoxybenzamide
CID 7831592
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(125I)iodo(125I)benzamide
CID 11325679

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide?
The IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide (CID 22573649) is N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide is O=C(NC1CN2CCC1C2)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide?
The InChIKey is REGFMXHUVIIKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c22-19(20-18-13-21-11-10-15(18)12-21)14-6-8-17(9-7-14)23-16-4-2-1-3-5-16/h1-9,15,18H,10-13H2,(H,20,22).
What are the key properties of N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide?
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide has a molecular weight of 308.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide is sourced from PubChem (CID 22573649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).