4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide

C19H21N3O2 — CID 22573369

IUPAC4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
SMILESNc1ccc(Oc2ccc(C(=O)NC3CC4CNC3C4)cc2)cc1
InChIInChI=1S/C19H21N3O2/c20-14-3-7-16(8-4-14)24-15-5-1-13(2-6-15)19(23)22-18-10-12-9-17(18)21-11-12/h1-8,12,17-18,21H,9-11,20H2,(H,22,23)
InChIKeyFNEDUFVSDWHHEF-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.54
Rot. Bonds4

About 4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide

4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide (PubChem CID 22573369) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide.

Molecular Properties

Compound Name4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
PubChem CID22573369
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
SMILESNc1ccc(Oc2ccc(C(=O)NC3CC4CNC3C4)cc2)cc1
InChIInChI=1S/C19H21N3O2/c20-14-3-7-16(8-4-14)24-15-5-1-13(2-6-15)19(23)22-18-10-12-9-17(18)21-11-12/h1-8,12,17-18,21H,9-11,20H2,(H,22,23)
InChIKeyFNEDUFVSDWHHEF-UHFFFAOYSA-N
XLogP2.54
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetylphenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
CID 22573564
4-(4-aminophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
CID 22573762
3-[4-(2-azabicyclo[2.2.1]heptan-6-ylcarbamoyl)phenoxy]benzamide
CID 22573467
4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide
CID 85078315
N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(3-methoxyphenyl)sulfanylbenzamide
CID 22573441
4-(4-acetamidophenyl)sulfanyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
CID 22573526
N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]-1-benzofuran-5-carboxamide
CID 98096202
N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide
CID 10214645
N-(2-azabicyclo[2.2.1]heptan-6-yl)-4-(2-methoxyphenyl)sulfanylbenzamide
CID 22573263
N-(2-azabicyclo[2.2.1]heptan-6-yl)-2-cyano-1-benzofuran-5-carboxamide
CID 10125410
N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-ethynylindolizine-6-carboxamide
CID 10171612
4-(4-aminophenoxy)-N-methylbenzamide
CID 131636828

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide?
The IUPAC name of 4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide (CID 22573369) is 4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide.
What is the SMILES notation for 4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide?
The canonical SMILES for 4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide is Nc1ccc(Oc2ccc(C(=O)NC3CC4CNC3C4)cc2)cc1.
What is the InChIKey of 4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide?
The InChIKey is FNEDUFVSDWHHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c20-14-3-7-16(8-4-14)24-15-5-1-13(2-6-15)19(23)22-18-10-12-9-17(18)21-11-12/h1-8,12,17-18,21H,9-11,20H2,(H,22,23).
What are the key properties of 4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide?
4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide is sourced from PubChem (CID 22573369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).