4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide

C17H22ClN3O2 — CID 119742671

IUPAC4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1Cl
InChIInChI=1S/C17H22ClN3O2/c1-19-17(23)14-5-4-13(9-15(14)18)21-16(22)8-10-6-11-2-3-12(7-10)20-11/h4-5,9-12,20H,2-3,6-8H2,1H3,(H,19,23)(H,21,22)
InChIKeyKFJVVOLJIFVJFE-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.56
Rot. Bonds4

About 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide

4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide (PubChem CID 119742671) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide
PubChem CID119742671
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1Cl
InChIInChI=1S/C17H22ClN3O2/c1-19-17(23)14-5-4-13(9-15(14)18)21-16(22)8-10-6-11-2-3-12(7-10)20-11/h4-5,9-12,20H,2-3,6-8H2,1H3,(H,19,23)(H,21,22)
InChIKeyKFJVVOLJIFVJFE-UHFFFAOYSA-N
XLogP2.56
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide with MolForge

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Related Compounds

methyl 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chlorobenzoate;hydrochloride
CID 119794116
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119772458
5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chlorobenzamide;hydrochloride
CID 119711582
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-chloro-4-ethoxyphenyl)acetamide
CID 119715566
5-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-phenylbenzamide;hydrochloride
CID 119789178
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(methylcarbamoylamino)phenyl]acetamide
CID 119702054
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]propanamide;hydrochloride
CID 119735821
N-(3-acetamido-4-methylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 119711365
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119672808
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 119697637
N-(3-acetylphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 79610778
N-[4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 119685267

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide?
The IUPAC name of 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide (CID 119742671) is 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide?
The canonical SMILES for 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)CC2CC3CCC(C2)N3)cc1Cl.
What is the InChIKey of 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide?
The InChIKey is KFJVVOLJIFVJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-19-17(23)14-5-4-13(9-15(14)18)21-16(22)8-10-6-11-2-3-12(7-10)20-11/h4-5,9-12,20H,2-3,6-8H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide?
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide has a molecular weight of 335.84 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-chloro-N-methylbenzamide is sourced from PubChem (CID 119742671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).