2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide

C18H23Cl2N3O2 — CID 98111247

IUPAC2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide
SMILESCC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2CC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H23Cl2N3O2/c1-11(24)21-12-8-13-4-2-5-14(9-12)23(13)10-17(25)22-16-7-3-6-15(19)18(16)20/h3,6-7,12-14H,2,4-5,8-10H2,1H3,(H,21,24)(H,22,25)/t13-,14-/m0/s1
InChIKeyCKDZTNSLYXUATA-KBPBESRZSA-N
MW384.31 g/mol
LogP3.45
Rot. Bonds4

About 2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide

2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide (PubChem CID 98111247) has the molecular formula C18H23Cl2N3O2 and a molecular weight of 384.31 g/mol. Its IUPAC name is 2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide
PubChem CID98111247
Molecular FormulaC18H23Cl2N3O2
Molecular Weight384.31 g/mol
Exact Mass383.12
IUPAC Name2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide
SMILESCC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2CC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C18H23Cl2N3O2/c1-11(24)21-12-8-13-4-2-5-14(9-12)23(13)10-17(25)22-16-7-3-6-15(19)18(16)20/h3,6-7,12-14H,2,4-5,8-10H2,1H3,(H,21,24)(H,22,25)/t13-,14-/m0/s1
InChIKeyCKDZTNSLYXUATA-KBPBESRZSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide with MolForge

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Related Compounds

N-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide
CID 155574319
N-(2,3-dichlorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 63768892
N-[9-[2-(2-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2,6-dimethoxybenzamide
CID 155574283
N-[9-[2-(2-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-5-carboxamide
CID 166501905
2-[(1S,5R)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 7390265
N-(2-chlorophenyl)-2-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 155574290
2-[acetyl(cyclopropyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 113158482
N-(2,3-dichlorophenyl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 51140712
N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]cyclohexanecarboxamide
CID 3220652
2-(cyclopropylmethylamino)-N-(2,3-dichlorophenyl)acetamide
CID 60843168
N-[9-[2-(3-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2-(2-methoxyphenyl)acetamide
CID 166501852
N-(2,3-dichlorophenyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98583432

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide (CID 98111247) is 2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide is CC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2CC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is CKDZTNSLYXUATA-KBPBESRZSA-N. The full InChI is InChI=1S/C18H23Cl2N3O2/c1-11(24)21-12-8-13-4-2-5-14(9-12)23(13)10-17(25)22-16-7-3-6-15(19)18(16)20/h3,6-7,12-14H,2,4-5,8-10H2,1H3,(H,21,24)(H,22,25)/t13-,14-/m0/s1.
What are the key properties of 2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide?
2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 384.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 98111247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).