N-(2,4-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide

C21H21Cl2F3N4O2 — CID 23140162

IUPACN-(2,4-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)N1CC(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C21H21Cl2F3N4O2/c22-14-1-6-19(18(23)11-14)27-20(31)30-12-16(13-30)29-9-7-28(8-10-29)15-2-4-17(5-3-15)32-21(24,25)26/h1-6,11,16H,7-10,12-13H2,(H,27,31)
InChIKeyUKSNCPUCJFWAPN-UHFFFAOYSA-N
MW489.33 g/mol
LogP4.93
Rot. Bonds4

About N-(2,4-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide

N-(2,4-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide (PubChem CID 23140162) has the molecular formula C21H21Cl2F3N4O2 and a molecular weight of 489.33 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide
PubChem CID23140162
Molecular FormulaC21H21Cl2F3N4O2
Molecular Weight489.33 g/mol
Exact Mass488.10
IUPAC NameN-(2,4-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)N1CC(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C21H21Cl2F3N4O2/c22-14-1-6-19(18(23)11-14)27-20(31)30-12-16(13-30)29-9-7-28(8-10-29)15-2-4-17(5-3-15)32-21(24,25)26/h1-6,11,16H,7-10,12-13H2,(H,27,31)
InChIKeyUKSNCPUCJFWAPN-UHFFFAOYSA-N
XLogP4.93
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.33
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-(2,4-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-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

Related Compounds

N-(2,6-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide
CID 23140412
N-(3-cyclopentyloxyphenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide
CID 23139953
N-(3-cyclohexyloxyphenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide
CID 67082409
N-(2,4-dichlorophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113752
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083
N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 113114419
4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518
(3R)-1-[(2,4-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120293
4-(2-chlorophenyl)-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 113112852
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
N-phenyl-3-(4-phenylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140121
N-(2-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140017

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide (CID 23140162) is N-(2,4-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1Cl)N1CC(N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)C1.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide?
The InChIKey is UKSNCPUCJFWAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2F3N4O2/c22-14-1-6-19(18(23)11-14)27-20(31)30-12-16(13-30)29-9-7-28(8-10-29)15-2-4-17(5-3-15)32-21(24,25)26/h1-6,11,16H,7-10,12-13H2,(H,27,31).
What are the key properties of N-(2,4-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide?
N-(2,4-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide has a molecular weight of 489.33 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]azetidine-1-carboxamide is sourced from PubChem (CID 23140162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).