N-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide

C25H30Cl2N4O2 — CID 155574319

IUPACN-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C25H30Cl2N4O2/c1-30(2)18-11-9-16(10-12-18)25(33)28-17-13-19-5-3-6-20(14-17)31(19)15-23(32)29-22-8-4-7-21(26)24(22)27/h4,7-12,17,19-20H,3,5-6,13-15H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyLMOPINHEOHDAJC-UHFFFAOYSA-N
MW489.45 g/mol
LogP4.81
Rot. Bonds6

About N-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide

N-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide (PubChem CID 155574319) has the molecular formula C25H30Cl2N4O2 and a molecular weight of 489.45 g/mol. Its IUPAC name is N-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide
PubChem CID155574319
Molecular FormulaC25H30Cl2N4O2
Molecular Weight489.45 g/mol
Exact Mass488.17
IUPAC NameN-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C25H30Cl2N4O2/c1-30(2)18-11-9-16(10-12-18)25(33)28-17-13-19-5-3-6-20(14-17)31(19)15-23(32)29-22-8-4-7-21(26)24(22)27/h4,7-12,17,19-20H,3,5-6,13-15H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyLMOPINHEOHDAJC-UHFFFAOYSA-N
XLogP4.81
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S,5S)-3-acetamido-9-azabicyclo[3.3.1]nonan-9-yl]-N-(2,3-dichlorophenyl)acetamide
CID 98111247
N-[9-[2-(2-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2,6-dimethoxybenzamide
CID 155574283
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]-1,2-oxazole-5-carboxamide
CID 166501905
[2-(2,3-dichloroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7939503
N-(2-chlorophenyl)-2-[3-[[2-(4-methoxyphenyl)-2-oxoethyl]amino]-9-azabicyclo[3.3.1]nonan-9-yl]acetamide
CID 155574290
N-(2,3-dichlorophenyl)-2-[4-(dimethylamino)anilino]acetamide
CID 109010323
2-[acetyl(cyclopropyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 113158482
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
3-N-cyclopentyl-1-N-(2,3-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109051954
4-[acetyl(propyl)amino]-N-(2,3-dichlorophenyl)benzamide
CID 67862307
4-bromo-N-[(1R,5R)-9-propyl-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 1461488

Frequently Asked Questions

What is the IUPAC name of N-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide?
The IUPAC name of N-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide (CID 155574319) is N-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide.
What is the SMILES notation for N-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide?
The canonical SMILES for N-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide?
The InChIKey is LMOPINHEOHDAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30Cl2N4O2/c1-30(2)18-11-9-16(10-12-18)25(33)28-17-13-19-5-3-6-20(14-17)31(19)15-23(32)29-22-8-4-7-21(26)24(22)27/h4,7-12,17,19-20H,3,5-6,13-15H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of N-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide?
N-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide has a molecular weight of 489.45 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-[2-(2,3-dichloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-4-(dimethylamino)benzamide is sourced from PubChem (CID 155574319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).