2,3-dichloro-N-[2-(dimethylamino)cycloheptyl]-N-phenylcyclobutane-1-carboxamide

C20H28Cl2N2O — CID 20556384

IUPAC2,3-dichloro-N-[2-(dimethylamino)cycloheptyl]-N-phenylcyclobutane-1-carboxamide
SMILESCN(C)C1CCCCCC1N(C(=O)C1CC(Cl)C1Cl)c1ccccc1
InChIInChI=1S/C20H28Cl2N2O/c1-23(2)17-11-7-4-8-12-18(17)24(14-9-5-3-6-10-14)20(25)15-13-16(21)19(15)22/h3,5-6,9-10,15-19H,4,7-8,11-13H2,1-2H3
InChIKeyZOSITLJRTXWDLN-UHFFFAOYSA-N
MW383.36 g/mol
LogP4.52
Rot. Bonds4

About 2,3-dichloro-N-[2-(dimethylamino)cycloheptyl]-N-phenylcyclobutane-1-carboxamide

2,3-dichloro-N-[2-(dimethylamino)cycloheptyl]-N-phenylcyclobutane-1-carboxamide (PubChem CID 20556384) has the molecular formula C20H28Cl2N2O and a molecular weight of 383.36 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(dimethylamino)cycloheptyl]-N-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(dimethylamino)cycloheptyl]-N-phenylcyclobutane-1-carboxamide
PubChem CID20556384
Molecular FormulaC20H28Cl2N2O
Molecular Weight383.36 g/mol
Exact Mass382.16
IUPAC Name2,3-dichloro-N-[2-(dimethylamino)cycloheptyl]-N-phenylcyclobutane-1-carboxamide
SMILESCN(C)C1CCCCCC1N(C(=O)C1CC(Cl)C1Cl)c1ccccc1
InChIInChI=1S/C20H28Cl2N2O/c1-23(2)17-11-7-4-8-12-18(17)24(14-9-5-3-6-10-14)20(25)15-13-16(21)19(15)22/h3,5-6,9-10,15-19H,4,7-8,11-13H2,1-2H3
InChIKeyZOSITLJRTXWDLN-UHFFFAOYSA-N
XLogP4.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3-dichloro-N-[2-(dimethylamino)cycloheptyl]-N-phenylcyclobutane-1-carboxamide 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 2,3-dichloro-N-[2-(dimethylamino)cycloheptyl]-N-phenylcyclobutane-1-carboxamide?
The IUPAC name of 2,3-dichloro-N-[2-(dimethylamino)cycloheptyl]-N-phenylcyclobutane-1-carboxamide (CID 20556384) is 2,3-dichloro-N-[2-(dimethylamino)cycloheptyl]-N-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for 2,3-dichloro-N-[2-(dimethylamino)cycloheptyl]-N-phenylcyclobutane-1-carboxamide?
The canonical SMILES for 2,3-dichloro-N-[2-(dimethylamino)cycloheptyl]-N-phenylcyclobutane-1-carboxamide is CN(C)C1CCCCCC1N(C(=O)C1CC(Cl)C1Cl)c1ccccc1.
What is the InChIKey of 2,3-dichloro-N-[2-(dimethylamino)cycloheptyl]-N-phenylcyclobutane-1-carboxamide?
The InChIKey is ZOSITLJRTXWDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl2N2O/c1-23(2)17-11-7-4-8-12-18(17)24(14-9-5-3-6-10-14)20(25)15-13-16(21)19(15)22/h3,5-6,9-10,15-19H,4,7-8,11-13H2,1-2H3.
What are the key properties of 2,3-dichloro-N-[2-(dimethylamino)cycloheptyl]-N-phenylcyclobutane-1-carboxamide?
2,3-dichloro-N-[2-(dimethylamino)cycloheptyl]-N-phenylcyclobutane-1-carboxamide has a molecular weight of 383.36 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-(dimethylamino)cycloheptyl]-N-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 20556384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).