N-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

C27H27ClFN3O3 — CID 52916738

IUPACN-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C(c1ccc(F)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C27H27ClFN3O3/c28-21-8-11-24(23(18-21)26(34)20-4-2-1-3-5-20)30-27(35)25(19-6-9-22(29)10-7-19)32-14-12-31(13-15-32)16-17-33/h1-11,18,25,33H,12-17H2,(H,30,35)
InChIKeyFXLVCFKAPGAMBT-UHFFFAOYSA-N
MW495.98 g/mol
LogP4.00
Rot. Bonds8

About N-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide

N-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide (PubChem CID 52916738) has the molecular formula C27H27ClFN3O3 and a molecular weight of 495.98 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
PubChem CID52916738
Molecular FormulaC27H27ClFN3O3
Molecular Weight495.98 g/mol
Exact Mass495.17
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
SMILESO=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C(c1ccc(F)cc1)N1CCN(CCO)CC1
InChIInChI=1S/C27H27ClFN3O3/c28-21-8-11-24(23(18-21)26(34)20-4-2-1-3-5-20)30-27(35)25(19-6-9-22(29)10-7-19)32-14-12-31(13-15-32)16-17-33/h1-11,18,25,33H,12-17H2,(H,30,35)
InChIKeyFXLVCFKAPGAMBT-UHFFFAOYSA-N
XLogP4.00
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.98
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-(4-formylpiperazin-1-yl)-2-phenylacetamide
CID 52916197
N-(2-benzoyl-4-chlorophenyl)-2-chloro-2-(4-fluorophenyl)acetamide
CID 52916008
2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetic acid
CID 82345138
(2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide
CID 124514274
2-amino-N-(2-benzoyl-4-chlorophenyl)-2-fluoroacetamide
CID 23332701
N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2172531
N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3039234
2-(4-benzylpiperazin-1-yl)-N-cyclopropyl-2-(4-fluorophenyl)acetamide
CID 24593623
N-(2-benzoyl-4-chlorophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 11839494
N-(2-benzoyl-4-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223887
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpentanamide
CID 879686
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide (CID 52916738) is N-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide is O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C(c1ccc(F)cc1)N1CCN(CCO)CC1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
The InChIKey is FXLVCFKAPGAMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClFN3O3/c28-21-8-11-24(23(18-21)26(34)20-4-2-1-3-5-20)30-27(35)25(19-6-9-22(29)10-7-19)32-14-12-31(13-15-32)16-17-33/h1-11,18,25,33H,12-17H2,(H,30,35).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide has a molecular weight of 495.98 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-(4-fluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 52916738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).