2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide

C18H25BrN2O — CID 119740648

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide
SMILESCC(Cc1cccc(Br)c1)NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C18H25BrN2O/c1-12(7-13-3-2-4-15(19)8-13)20-18(22)11-14-9-16-5-6-17(10-14)21-16/h2-4,8,12,14,16-17,21H,5-7,9-11H2,1H3,(H,20,22)
InChIKeyFEPZADNOIGQKFR-UHFFFAOYSA-N
MW365.32 g/mol
LogP3.42
Rot. Bonds5

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide (PubChem CID 119740648) has the molecular formula C18H25BrN2O and a molecular weight of 365.32 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide
PubChem CID119740648
Molecular FormulaC18H25BrN2O
Molecular Weight365.32 g/mol
Exact Mass364.12
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide
SMILESCC(Cc1cccc(Br)c1)NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C18H25BrN2O/c1-12(7-13-3-2-4-15(19)8-13)20-18(22)11-14-9-16-5-6-17(10-14)21-16/h2-4,8,12,14,16-17,21H,5-7,9-11H2,1H3,(H,20,22)
InChIKeyFEPZADNOIGQKFR-UHFFFAOYSA-N
XLogP3.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromo-4-fluorophenyl)propan-2-yl]acetamide
CID 119814233
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 119777156
N-[1-(3-bromophenyl)propan-2-yl]-2-(methylamino)acetamide
CID 119740640
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-phenylbutan-2-yl)acetamide;hydrochloride
CID 119766335
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride
CID 119808311
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119721040
N-[1-(3-bromophenyl)propan-2-yl]-3-piperidin-3-ylbutanamide
CID 119740642
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(2S)-1-methylsulfanylpropan-2-yl]acetamide
CID 124592903
(2R,4R)-N-[(2R)-1-(3-bromophenyl)propan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 125138536
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methyl-4-phenylpentan-2-yl)acetamide;hydrochloride
CID 119755784
N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119298778

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide (CID 119740648) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide is CC(Cc1cccc(Br)c1)NC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide?
The InChIKey is FEPZADNOIGQKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrN2O/c1-12(7-13-3-2-4-15(19)8-13)20-18(22)11-14-9-16-5-6-17(10-14)21-16/h2-4,8,12,14,16-17,21H,5-7,9-11H2,1H3,(H,20,22).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3-bromophenyl)propan-2-yl]acetamide has a molecular weight of 365.32 g/mol, XLogP of 3.42, 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-[1-(3-bromophenyl)propan-2-yl]acetamide is sourced from PubChem (CID 119740648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).