2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride

C21H30ClFN2O — CID 119810351

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NC(c1cccc(F)c1)C1CCCC1
InChIInChI=1S/C21H29FN2O.ClH/c22-17-7-3-6-16(13-17)21(15-4-1-2-5-15)24-20(25)12-14-10-18-8-9-19(11-14)23-18;/h3,6-7,13-15,18-19,21,23H,1-2,4-5,8-12H2,(H,24,25);1H
InChIKeyDCTQDGNNFFOBTJ-UHFFFAOYSA-N
MW380.94 g/mol
LogP4.52
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride (PubChem CID 119810351) has the molecular formula C21H30ClFN2O and a molecular weight of 380.94 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride
PubChem CID119810351
Molecular FormulaC21H30ClFN2O
Molecular Weight380.94 g/mol
Exact Mass380.20
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride
SMILESCl.O=C(CC1CC2CCC(C1)N2)NC(c1cccc(F)c1)C1CCCC1
InChIInChI=1S/C21H29FN2O.ClH/c22-17-7-3-6-16(13-17)21(15-4-1-2-5-15)24-20(25)12-14-10-18-8-9-19(11-14)23-18;/h3,6-7,13-15,18-19,21,23H,1-2,4-5,8-12H2,(H,24,25);1H
InChIKeyDCTQDGNNFFOBTJ-UHFFFAOYSA-N
XLogP4.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.94
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(4-fluorophenyl)methyl]acetamide
CID 119735363
N-[cyclopentyl-(3-fluorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119810349
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 91643966
4-amino-N-[cyclopentyl-(3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120593746
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methylphenyl)methyl]acetamide;hydrochloride
CID 119810421
N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-2-(3-fluorophenyl)acetamide
CID 141220125
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 99775305
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856692
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1,1-diphenylpropan-2-yl)acetamide;hydrochloride
CID 119716625
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethyl-1-phenylpropyl)acetamide;hydrochloride
CID 119724650
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 107863325
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)acetamide;hydrochloride
CID 119745340

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride (CID 119810351) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride is Cl.O=C(CC1CC2CCC(C1)N2)NC(c1cccc(F)c1)C1CCCC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride?
The InChIKey is DCTQDGNNFFOBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O.ClH/c22-17-7-3-6-16(13-17)21(15-4-1-2-5-15)24-20(25)12-14-10-18-8-9-19(11-14)23-18;/h3,6-7,13-15,18-19,21,23H,1-2,4-5,8-12H2,(H,24,25);1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride has a molecular weight of 380.94 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopentyl-(3-fluorophenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119810351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).