3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride

C16H22ClN3O2 — CID 119687681

IUPAC3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(NC(=O)CC2CC3CCC(C2)N3)c1
InChIInChI=1S/C16H21N3O2.ClH/c17-16(21)11-2-1-3-12(9-11)19-15(20)8-10-6-13-4-5-14(7-10)18-13;/h1-3,9-10,13-14,18H,4-8H2,(H2,17,21)(H,19,20);1H
InChIKeyPYAWWHNFSDJZTD-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.07
Rot. Bonds4

About 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride

3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride (PubChem CID 119687681) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
PubChem CID119687681
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(NC(=O)CC2CC3CCC(C2)N3)c1
InChIInChI=1S/C16H21N3O2.ClH/c17-16(21)11-2-1-3-12(9-11)19-15(20)8-10-6-13-4-5-14(7-10)18-13;/h1-3,9-10,13-14,18H,4-8H2,(H2,17,21)(H,19,20);1H
InChIKeyPYAWWHNFSDJZTD-UHFFFAOYSA-N
XLogP2.07
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119673318
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79610778
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]benzamide
CID 119709596
5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chlorobenzamide;hydrochloride
CID 119711582
3-[[2-(azetidin-3-yl)acetyl]amino]benzamide
CID 64612243
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
CID 119702054
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 119714267
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-methylsulfonylphenyl)acetamide;hydrochloride
CID 119694305
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(ethylaminomethyl)phenyl]acetamide
CID 122080255
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(methylsulfonylmethyl)phenyl]acetamide;hydrochloride
CID 119756851
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119673021
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 119723472

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride?
The IUPAC name of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride (CID 119687681) is 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride.
What is the SMILES notation for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride?
The canonical SMILES for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride is Cl.NC(=O)c1cccc(NC(=O)CC2CC3CCC(C2)N3)c1.
What is the InChIKey of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride?
The InChIKey is PYAWWHNFSDJZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c17-16(21)11-2-1-3-12(9-11)19-15(20)8-10-6-13-4-5-14(7-10)18-13;/h1-3,9-10,13-14,18H,4-8H2,(H2,17,21)(H,19,20);1H.
What are the key properties of 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride?
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride is sourced from PubChem (CID 119687681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).