2-(2-amino-4-chlorophenoxy)-N-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide

C22H25Cl2N3O2 — CID 68821618

IUPAC2-(2-amino-4-chlorophenoxy)-N-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESNc1cc(Cl)ccc1OCC(=O)NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C22H25Cl2N3O2/c23-15-3-1-14(2-4-15)12-27-18-6-7-19(27)11-17(10-18)26-22(28)13-29-21-8-5-16(24)9-20(21)25/h1-5,8-9,17-19H,6-7,10-13,25H2,(H,26,28)
InChIKeyAASSQTBUSGGCMH-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.27
Rot. Bonds6

About 2-(2-amino-4-chlorophenoxy)-N-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide

2-(2-amino-4-chlorophenoxy)-N-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide (PubChem CID 68821618) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenoxy)-N-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenoxy)-N-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
PubChem CID68821618
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name2-(2-amino-4-chlorophenoxy)-N-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
SMILESNc1cc(Cl)ccc1OCC(=O)NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1
InChIInChI=1S/C22H25Cl2N3O2/c23-15-3-1-14(2-4-15)12-27-18-6-7-19(27)11-17(10-18)26-22(28)13-29-21-8-5-16(24)9-20(21)25/h1-5,8-9,17-19H,6-7,10-13,25H2,(H,26,28)
InChIKeyAASSQTBUSGGCMH-UHFFFAOYSA-N
XLogP4.27
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-[2-[[(1R,5S)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethoxy]benzoic acid;5-chloro-2-[2-[[(1R,5S)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethoxy]-N,N-dimethylbenzamide
CID 87711445
N-[5-chloro-2-[2-[[(1S,5R)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethoxy]phenyl]piperidine-3-carboxamide
CID 12003723
3-[[2-[2-(carbamoylamino)-4-chlorophenoxy]acetyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 68820948
2-(2-bromo-4-chlorophenoxy)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]acetamide
CID 24504200
3-chloro-N-[3-[[(1S,5S)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-oxopropyl]benzamide
CID 12003231
2-(2-amino-4-formylphenoxy)-N-cyclopentylacetamide
CID 82057064
2-(4-chloro-2-methylphenoxy)-N-[(3S,4R)-3,4-dihydroxycyclopentyl]acetamide
CID 166269611
N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-2-(2,5-dichlorophenoxy)acetamide
CID 52504513
N-[9-[(4-chlorophenyl)methyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl]acetamide
CID 20522626
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-cyclopentyloxyacetamide
CID 71876739
2-chloro-N-[8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 68822844
5-chloro-N-[2-[[(1R,5R)-8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-2-oxoethyl]-2-methoxy-4-(methylamino)benzamide
CID 12003417

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenoxy)-N-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The IUPAC name of 2-(2-amino-4-chlorophenoxy)-N-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide (CID 68821618) is 2-(2-amino-4-chlorophenoxy)-N-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide.
What is the SMILES notation for 2-(2-amino-4-chlorophenoxy)-N-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The canonical SMILES for 2-(2-amino-4-chlorophenoxy)-N-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide is Nc1cc(Cl)ccc1OCC(=O)NC1CC2CCC(C1)N2Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(2-amino-4-chlorophenoxy)-N-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
The InChIKey is AASSQTBUSGGCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c23-15-3-1-14(2-4-15)12-27-18-6-7-19(27)11-17(10-18)26-22(28)13-29-21-8-5-16(24)9-20(21)25/h1-5,8-9,17-19H,6-7,10-13,25H2,(H,26,28).
What are the key properties of 2-(2-amino-4-chlorophenoxy)-N-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide?
2-(2-amino-4-chlorophenoxy)-N-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide has a molecular weight of 434.37 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorophenoxy)-N-[8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]acetamide is sourced from PubChem (CID 68821618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).