N-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]ethyl]-2-(2-fluorophenyl)acetamide

C23H28Cl2FN3O — CID 68885263

IUPACN-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]ethyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NCCNCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C23H28Cl2FN3O/c24-20-6-5-18(13-21(20)25)16-29-11-7-17(8-12-29)15-27-9-10-28-23(30)14-19-3-1-2-4-22(19)26/h1-6,13,17,27H,7-12,14-16H2,(H,28,30)
InChIKeyVIBNBHJAIGGMOM-UHFFFAOYSA-N
MW452.40 g/mol
LogP4.29
Rot. Bonds9

About N-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]ethyl]-2-(2-fluorophenyl)acetamide

N-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]ethyl]-2-(2-fluorophenyl)acetamide (PubChem CID 68885263) has the molecular formula C23H28Cl2FN3O and a molecular weight of 452.40 g/mol. Its IUPAC name is N-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]ethyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]ethyl]-2-(2-fluorophenyl)acetamide
PubChem CID68885263
Molecular FormulaC23H28Cl2FN3O
Molecular Weight452.40 g/mol
Exact Mass451.16
IUPAC NameN-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]ethyl]-2-(2-fluorophenyl)acetamide
SMILESO=C(Cc1ccccc1F)NCCNCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C23H28Cl2FN3O/c24-20-6-5-18(13-21(20)25)16-29-11-7-17(8-12-29)15-27-9-10-28-23(30)14-19-3-1-2-4-22(19)26/h1-6,13,17,27H,7-12,14-16H2,(H,28,30)
InChIKeyVIBNBHJAIGGMOM-UHFFFAOYSA-N
XLogP4.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.40
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]ethyl]-2-(2-fluorophenyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]ethyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]ethyl]-2-(2-fluorophenyl)acetamide (CID 68885263) is N-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]ethyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]ethyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]ethyl]-2-(2-fluorophenyl)acetamide is O=C(Cc1ccccc1F)NCCNCC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]ethyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is VIBNBHJAIGGMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2FN3O/c24-20-6-5-18(13-21(20)25)16-29-11-7-17(8-12-29)15-27-9-10-28-23(30)14-19-3-1-2-4-22(19)26/h1-6,13,17,27H,7-12,14-16H2,(H,28,30).
What are the key properties of N-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]ethyl]-2-(2-fluorophenyl)acetamide?
N-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]ethyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 452.40 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]ethyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 68885263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).