2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide

C20H22F3N3O — CID 112502704

IUPAC2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
SMILESCC(C)N1CCN(c2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2)CC1
InChIInChI=1S/C20H22F3N3O/c1-13(2)25-9-11-26(12-10-25)15-5-3-14(4-6-15)24-20(27)16-7-8-17(21)19(23)18(16)22/h3-8,13H,9-12H2,1-2H3,(H,24,27)
InChIKeyZDTUQXNFMCZEBN-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.89
Rot. Bonds4

About 2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide

2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide (PubChem CID 112502704) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
PubChem CID112502704
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
SMILESCC(C)N1CCN(c2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2)CC1
InChIInChI=1S/C20H22F3N3O/c1-13(2)25-9-11-26(12-10-25)15-5-3-14(4-6-15)24-20(27)16-7-8-17(21)19(23)18(16)22/h3-8,13H,9-12H2,1-2H3,(H,24,27)
InChIKeyZDTUQXNFMCZEBN-UHFFFAOYSA-N
XLogP3.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]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

2,4-dichloro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112502708
N-(3-acetamido-4-fluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732998
N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-4-pyrrol-1-ylbenzamide
CID 110302002
4-methyl-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 10277567
2-(dimethylamino)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 110302012
2,3,4-trifluoro-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980375
N-[4-(4-acetamidoanilino)phenyl]-2,3,4-trifluorobenzamide
CID 112988382
5-chloro-2-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 26709129
2,3,4-trifluoro-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362363
4-methoxy-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 10116194
2,3,4-trifluoro-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 94915286
3-propan-2-yl-2-(4-propan-2-ylphenyl)-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide
CID 10174229

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide (CID 112502704) is 2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide is CC(C)N1CCN(c2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2)CC1.
What is the InChIKey of 2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is ZDTUQXNFMCZEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-13(2)25-9-11-26(12-10-25)15-5-3-14(4-6-15)24-20(27)16-7-8-17(21)19(23)18(16)22/h3-8,13H,9-12H2,1-2H3,(H,24,27).
What are the key properties of 2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide?
2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 377.41 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 112502704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).