3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide

C20H21N3O3 — CID 22573467

IUPAC3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide
SMILESNC(=O)c1cccc(Oc2ccc(C(=O)NC3CC4CNC3C4)cc2)c1
InChIInChI=1S/C20H21N3O3/c21-19(24)14-2-1-3-16(10-14)26-15-6-4-13(5-7-15)20(25)23-18-9-12-8-17(18)22-11-12/h1-7,10,12,17-18,22H,8-9,11H2,(H2,21,24)(H,23,25)
InChIKeySGLZRQGAQBOZCB-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.06
Rot. Bonds5

About 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide

3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide (PubChem CID 22573467) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide.

Molecular Properties

Compound Name3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide
PubChem CID22573467
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide
SMILESNC(=O)c1cccc(Oc2ccc(C(=O)NC3CC4CNC3C4)cc2)c1
InChIInChI=1S/C20H21N3O3/c21-19(24)14-2-1-3-16(10-14)26-15-6-4-13(5-7-15)20(25)23-18-9-12-8-17(18)22-11-12/h1-7,10,12,17-18,22H,8-9,11H2,(H2,21,24)(H,23,25)
InChIKeySGLZRQGAQBOZCB-UHFFFAOYSA-N
XLogP2.06
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-methoxybenzamide hydrochloride
CID 14783871
N-(3-(trifluoromethoxy)benzyl)-4-phenoxybenzamide
CID 44405454
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-[(3,4-dimethoxyphenyl)formamido]acetamide
CID 23644770
1-[(2S)-3-methyl-2-[(4-phenoxybenzoyl)amino]butanoyl]-N-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carboxamide
CID 44298605
N-[(3S)-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 76317221
4-(1-propan-2-ylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 127036359
4-(1-cyclopentylpiperidin-4-yl)oxy-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 127036360
N-[1-(2-methylpropyl)pyrrolidin-3-yl]-4-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 127036362
N-cyclohexyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 788868
N,N'-1,2-ethanediylbis(4-ethoxybenzamide)
CID 2164977
4-methoxy-N-[(2S)-3-methyl-1-[(4-methylphenyl)methylamino]-1-oxobutan-2-yl]benzamide
CID 2462591
N-(1-benzyl-4-piperidinyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 2814953

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide?
The IUPAC name of 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide (CID 22573467) is 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide.
What is the SMILES notation for 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide?
The canonical SMILES for 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide is NC(=O)c1cccc(Oc2ccc(C(=O)NC3CC4CNC3C4)cc2)c1.
What is the InChIKey of 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide?
The InChIKey is SGLZRQGAQBOZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c21-19(24)14-2-1-3-16(10-14)26-15-6-4-13(5-7-15)20(25)23-18-9-12-8-17(18)22-11-12/h1-7,10,12,17-18,22H,8-9,11H2,(H2,21,24)(H,23,25).
What are the key properties of 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide?
3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide is sourced from PubChem (CID 22573467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).