2,2,2-trichloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide

C10H15Cl3N2O — CID 67833389

IUPAC2,2,2-trichloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCN1[C@@H]2CC[C@H]1CC(NC(=O)C(Cl)(Cl)Cl)C2
InChIInChI=1S/C10H15Cl3N2O/c1-15-7-2-3-8(15)5-6(4-7)14-9(16)10(11,12)13/h6-8H,2-5H2,1H3,(H,14,16)/t6?,7-,8+
InChIKeyUJWPDSPXXQPEIE-IEESLHIDSA-N
MW285.60 g/mol
LogP2.10
Rot. Bonds1

About 2,2,2-trichloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide

2,2,2-trichloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide (PubChem CID 67833389) has the molecular formula C10H15Cl3N2O and a molecular weight of 285.60 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
PubChem CID67833389
Molecular FormulaC10H15Cl3N2O
Molecular Weight285.60 g/mol
Exact Mass284.02
IUPAC Name2,2,2-trichloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESCN1[C@@H]2CC[C@H]1CC(NC(=O)C(Cl)(Cl)Cl)C2
InChIInChI=1S/C10H15Cl3N2O/c1-15-7-2-3-8(15)5-6(4-7)14-9(16)10(11,12)13/h6-8H,2-5H2,1H3,(H,14,16)/t6?,7-,8+
InChIKeyUJWPDSPXXQPEIE-IEESLHIDSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.60
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamic acid
CID 67915994
2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
CID 103734026
tert-butyl N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]carbamate
CID 98043496
1,1-dimethyl-3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 121218221
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-sulfanylacetamide
CID 130663104
methyl N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)carbamate
CID 115661200
[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 70078455
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidine-3-carboxamide
CID 65470856
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-sulfanylpropanamide
CID 107031276
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]propanamide
CID 43545311
2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid
CID 65061467

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide (CID 67833389) is 2,2,2-trichloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide is CN1[C@@H]2CC[C@H]1CC(NC(=O)C(Cl)(Cl)Cl)C2.
What is the InChIKey of 2,2,2-trichloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The InChIKey is UJWPDSPXXQPEIE-IEESLHIDSA-N. The full InChI is InChI=1S/C10H15Cl3N2O/c1-15-7-2-3-8(15)5-6(4-7)14-9(16)10(11,12)13/h6-8H,2-5H2,1H3,(H,14,16)/t6?,7-,8+.
What are the key properties of 2,2,2-trichloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
2,2,2-trichloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide has a molecular weight of 285.60 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]acetamide is sourced from PubChem (CID 67833389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).