2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride

C18H28Cl2FN3O — CID 119856692

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
SMILESCC(C)Nc1ccc(F)cc1NC(=O)CC1CC2CCC(C1)N2.Cl.Cl
InChIInChI=1S/C18H26FN3O.2ClH/c1-11(2)20-16-6-3-13(19)10-17(16)22-18(23)9-12-7-14-4-5-15(8-12)21-14;;/h3,6,10-12,14-15,20-21H,4-5,7-9H2,1-2H3,(H,22,23);2*1H
InChIKeyWORUAPWDANXPHY-UHFFFAOYSA-N
MW392.35 g/mol
LogP4.35
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride (PubChem CID 119856692) has the molecular formula C18H28Cl2FN3O and a molecular weight of 392.35 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
PubChem CID119856692
Molecular FormulaC18H28Cl2FN3O
Molecular Weight392.35 g/mol
Exact Mass391.16
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
SMILESCC(C)Nc1ccc(F)cc1NC(=O)CC1CC2CCC(C1)N2.Cl.Cl
InChIInChI=1S/C18H26FN3O.2ClH/c1-11(2)20-16-6-3-13(19)10-17(16)22-18(23)9-12-7-14-4-5-15(8-12)21-14;;/h3,6,10-12,14-15,20-21H,4-5,7-9H2,1-2H3,(H,22,23);2*1H
InChIKeyWORUAPWDANXPHY-UHFFFAOYSA-N
XLogP4.35
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.35
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-fluoro-2-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119770221
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-ethoxy-4-fluorophenyl)acetamide
CID 119718548
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(cyclopropylmethoxy)-4-fluorophenyl]acetamide
CID 119800663
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluoro-2-propoxyphenyl)acetamide
CID 119815179
2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride
CID 119856698
N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119873541
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119704664
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119669268
N-(2-acetamido-5-methoxyphenyl)-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride
CID 119711092
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-2-methylphenyl)acetamide
CID 79614826
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-bromo-2-fluorophenyl)acetamide
CID 79607339
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,6-dimethyl-3-pyridinyl)acetamide;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride (CID 119856692) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride is CC(C)Nc1ccc(F)cc1NC(=O)CC1CC2CCC(C1)N2.Cl.Cl.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride?
The InChIKey is WORUAPWDANXPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O.2ClH/c1-11(2)20-16-6-3-13(19)10-17(16)22-18(23)9-12-7-14-4-5-15(8-12)21-14;;/h3,6,10-12,14-15,20-21H,4-5,7-9H2,1-2H3,(H,22,23);2*1H.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride has a molecular weight of 392.35 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[5-fluoro-2-(propan-2-ylamino)phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 119856692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).