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

C19H21N3O2 — CID 85078315

IUPAC4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide
SMILESNc1ccc(Oc2ccc(C(=O)NC3CC4CCC3N4)cc2)cc1
InChIInChI=1S/C19H21N3O2/c20-13-3-8-16(9-4-13)24-15-6-1-12(2-7-15)19(23)22-18-11-14-5-10-17(18)21-14/h1-4,6-9,14,17-18,21H,5,10-11,20H2,(H,22,23)
InChIKeyVXJGJNOUHUMXTR-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.68
Rot. Bonds4

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

4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide (PubChem CID 85078315) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide.

Molecular Properties

Compound Name4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide
PubChem CID85078315
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide
SMILESNc1ccc(Oc2ccc(C(=O)NC3CC4CCC3N4)cc2)cc1
InChIInChI=1S/C19H21N3O2/c20-13-3-8-16(9-4-13)24-15-6-1-12(2-7-15)19(23)22-18-11-14-5-10-17(18)21-14/h1-4,6-9,14,17-18,21H,5,10-11,20H2,(H,22,23)
InChIKeyVXJGJNOUHUMXTR-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
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-(2-acetylphenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide
CID 85330831
4-(4-aminophenoxy)-N-(2-azabicyclo[2.2.1]heptan-6-yl)benzamide
CID 22573369
3-amino-N-[(2R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-hydroxybenzamide
CID 59059436
N-(7-azabicyclo[2.2.1]heptan-2-yl)-4-[(2-methoxy-1,3-oxazol-5-yl)oxy]benzamide
CID 85054455
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide
CID 10109523
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]-1,3-benzodioxole-5-carboxamide
CID 45087059
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-sulfanyl-1-benzofuran-5-carboxamide
CID 91358573
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-5-(4-methoxyphenoxy)thiophene-2-carboxamide
CID 70026018
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-2-chloro-1-benzothiophene-5-carboxamide
CID 90872241
N-(7-azabicyclo[2.2.1]heptan-2-yl)-5-(4-fluorophenoxy)-1,3-thiazole-2-carboxamide
CID 18535616
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-3-[3-(methanesulfonamido)phenoxy]benzamide
CID 10272400

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide?
The IUPAC name of 4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide (CID 85078315) is 4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide.
What is the SMILES notation for 4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide?
The canonical SMILES for 4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide is Nc1ccc(Oc2ccc(C(=O)NC3CC4CCC3N4)cc2)cc1.
What is the InChIKey of 4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide?
The InChIKey is VXJGJNOUHUMXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c20-13-3-8-16(9-4-13)24-15-6-1-12(2-7-15)19(23)22-18-11-14-5-10-17(18)21-14/h1-4,6-9,14,17-18,21H,5,10-11,20H2,(H,22,23).
What are the key properties of 4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide?
4-(4-aminophenoxy)-N-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.68, 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-(7-azabicyclo[2.2.1]heptan-2-yl)benzamide is sourced from PubChem (CID 85078315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).