N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide

C21H22ClF3N4O2 — CID 24683894

IUPACN-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCN(CC(F)(F)F)CC1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H22ClF3N4O2/c22-15-5-7-16(8-6-15)26-20(31)17-3-1-2-4-18(17)27-19(30)13-28-9-11-29(12-10-28)14-21(23,24)25/h1-8H,9-14H2,(H,26,31)(H,27,30)
InChIKeyPQOFAZMFGUKERP-UHFFFAOYSA-N
MW454.88 g/mol
LogP3.71
Rot. Bonds6

About N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide

N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide (PubChem CID 24683894) has the molecular formula C21H22ClF3N4O2 and a molecular weight of 454.88 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide
PubChem CID24683894
Molecular FormulaC21H22ClF3N4O2
Molecular Weight454.88 g/mol
Exact Mass454.14
IUPAC NameN-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide
SMILESO=C(CN1CCN(CC(F)(F)F)CC1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C21H22ClF3N4O2/c22-15-5-7-16(8-6-15)26-20(31)17-3-1-2-4-18(17)27-19(30)13-28-9-11-29(12-10-28)14-21(23,24)25/h1-8H,9-14H2,(H,26,31)(H,27,30)
InChIKeyPQOFAZMFGUKERP-UHFFFAOYSA-N
XLogP3.71
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.88
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-(4-chlorobenzoyl)piperazin-1-yl]acetyl]amino]-N-phenylbenzamide
CID 46551898
2-[[2-[4-(4-chlorobenzoyl)piperidin-1-yl]acetyl]amino]-N-phenylbenzamide
CID 55989512
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 36876914
2-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]-N-phenylbenzamide
CID 31480918
N-(2,3-dimethylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 17407836
N-(4-ethoxyphenyl)-2-[(2-pyrrolidin-1-ylacetyl)amino]benzamide
CID 2552865
2-[4-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30993776
N-(4-chlorophenyl)-2-[[2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetyl]amino]benzamide
CID 55875040
N-(4-fluorophenyl)-2-[[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 34735668
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-N-phenylbenzamide
CID 2535366
2-[[2-(4-benzyl-1,4-diazepan-1-yl)acetyl]amino]-N-(4-ethoxyphenyl)benzamide
CID 16618283
N-(4-chlorophenyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide
CID 55466378

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide (CID 24683894) is N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide is O=C(CN1CCN(CC(F)(F)F)CC1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide?
The InChIKey is PQOFAZMFGUKERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF3N4O2/c22-15-5-7-16(8-6-15)26-20(31)17-3-1-2-4-18(17)27-19(30)13-28-9-11-29(12-10-28)14-21(23,24)25/h1-8H,9-14H2,(H,26,31)(H,27,30).
What are the key properties of N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide?
N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide has a molecular weight of 454.88 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 24683894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).