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

C18H25Cl2N3O2 — CID 119703573

IUPACN-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C18H24ClN3O2.ClH/c19-16-4-2-1-3-15(16)18(24)21-8-7-20-17(23)11-12-9-13-5-6-14(10-12)22-13;/h1-4,12-14,22H,5-11H2,(H,20,23)(H,21,24);1H
InChIKeyGDWQTPNMHJCJDG-UHFFFAOYSA-N
MW386.32 g/mol
LogP2.53
Rot. Bonds6

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

N-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride (PubChem CID 119703573) has the molecular formula C18H25Cl2N3O2 and a molecular weight of 386.32 g/mol. Its IUPAC name is N-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride
PubChem CID119703573
Molecular FormulaC18H25Cl2N3O2
Molecular Weight386.32 g/mol
Exact Mass385.13
IUPAC NameN-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NCCNC(=O)c1ccccc1Cl
InChIInChI=1S/C18H24ClN3O2.ClH/c19-16-4-2-1-3-15(16)18(24)21-8-7-20-17(23)11-12-9-13-5-6-14(10-12)22-13;/h1-4,12-14,22H,5-11H2,(H,20,23)(H,21,24);1H
InChIKeyGDWQTPNMHJCJDG-UHFFFAOYSA-N
XLogP2.53
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.32
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,6-dichlorophenyl)propyl]acetamide;hydrochloride
CID 119768757
2-chloro-N-[2-[[2-(cyclopropylmethoxy)acetyl]amino]ethyl]benzamide
CID 47036707
2-chloro-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]benzamide
CID 119703587
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]acetamide;hydrochloride
CID 119759800
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylbenzamide
CID 119714094
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]thiophene-2-carboxamide;hydrochloride
CID 119764467
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119679698
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571462
N-[3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]propyl]-4-fluorobenzamide
CID 119782993
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]acetamide;dihydrochloride
CID 119900851
5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride
CID 119789178
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]benzamide;hydrochloride
CID 119673021

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride?
The IUPAC name of N-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride (CID 119703573) is N-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride.
What is the SMILES notation for N-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride?
The canonical SMILES for N-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)NCCNC(=O)c1ccccc1Cl.
What is the InChIKey of N-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride?
The InChIKey is GDWQTPNMHJCJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2.ClH/c19-16-4-2-1-3-15(16)18(24)21-8-7-20-17(23)11-12-9-13-5-6-14(10-12)22-13;/h1-4,12-14,22H,5-11H2,(H,20,23)(H,21,24);1H.
What are the key properties of N-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride?
N-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride has a molecular weight of 386.32 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]ethyl]-2-chlorobenzamide;hydrochloride is sourced from PubChem (CID 119703573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).