3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride

C17H21ClF3N3O2 — CID 119457403

IUPAC3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCC(=O)Nc1cc(C(=O)NC2CC3CCC(C2)N3)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C17H20F3N3O2.ClH/c1-9(24)21-14-5-10(4-11(6-14)17(18,19)20)16(25)23-15-7-12-2-3-13(8-15)22-12;/h4-6,12-13,15,22H,2-3,7-8H2,1H3,(H,21,24)(H,23,25);1H
InChIKeyRWLSDWPURJNXAO-UHFFFAOYSA-N
MW391.82 g/mol
LogP3.10
Rot. Bonds3

About 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride

3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 119457403) has the molecular formula C17H21ClF3N3O2 and a molecular weight of 391.82 g/mol. Its IUPAC name is 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride
PubChem CID119457403
Molecular FormulaC17H21ClF3N3O2
Molecular Weight391.82 g/mol
Exact Mass391.13
IUPAC Name3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCC(=O)Nc1cc(C(=O)NC2CC3CCC(C2)N3)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C17H20F3N3O2.ClH/c1-9(24)21-14-5-10(4-11(6-14)17(18,19)20)16(25)23-15-7-12-2-3-13(8-15)22-12;/h4-6,12-13,15,22H,2-3,7-8H2,1H3,(H,21,24)(H,23,25);1H
InChIKeyRWLSDWPURJNXAO-UHFFFAOYSA-N
XLogP3.10
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.82
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(2-oxopyrrolidin-1-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119456665
3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide
CID 119602942
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride
CID 119455135
3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide
CID 154810388
3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119628226
N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119374898
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide;hydrochloride
CID 119455649
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide
CID 75398204
3-fluoro-N-(2-methylpiperidin-4-yl)-5-(trifluoromethyl)benzamide
CID 120598564
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride (CID 119457403) is 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride is CC(=O)Nc1cc(C(=O)NC2CC3CCC(C2)N3)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is RWLSDWPURJNXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2.ClH/c1-9(24)21-14-5-10(4-11(6-14)17(18,19)20)16(25)23-15-7-12-2-3-13(8-15)22-12;/h4-6,12-13,15,22H,2-3,7-8H2,1H3,(H,21,24)(H,23,25);1H.
What are the key properties of 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride?
3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 391.82 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 119457403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).