N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

C19H18ClF4N3O — CID 3236841

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C19H18ClF4N3O/c20-16-6-1-13(19(22,23)24)11-17(16)25-18(28)12-26-7-9-27(10-8-26)15-4-2-14(21)3-5-15/h1-6,11H,7-10,12H2,(H,25,28)
InChIKeyFFNXOGKIRCJIFZ-UHFFFAOYSA-N
MW415.82 g/mol
LogP4.26
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (PubChem CID 3236841) has the molecular formula C19H18ClF4N3O and a molecular weight of 415.82 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
PubChem CID3236841
Molecular FormulaC19H18ClF4N3O
Molecular Weight415.82 g/mol
Exact Mass415.11
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C19H18ClF4N3O/c20-16-6-1-13(19(22,23)24)11-17(16)25-18(28)12-26-7-9-27(10-8-26)15-4-2-14(21)3-5-15/h1-6,11H,7-10,12H2,(H,25,28)
InChIKeyFFNXOGKIRCJIFZ-UHFFFAOYSA-N
XLogP4.26
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.82
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278179
N-(2-(3-((2S,5R)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10003548
N-(2-(3-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10456104
N-[5-Chloro-2-[(1E)-3-[(2R)-4-[(4-fluorophenyl)methyl]-2-methyl-1-piperazinyl]-3-oxo-1-propen-1-YL]phenyl]-acetamide
CID 11743399
2-(4-Benzyl-1-piperazinyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 1206470
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
CID 1003584
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278151
2-(4-benzylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2697446
N-(3-Trifluoromethyl-phenyl)-2-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-acetamide
CID 9549587
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-morpholinoacetamide
CID 676222
2-(azepan-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 722242
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-pyrrolidinylacetamide
CID 722395

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide (CID 3236841) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
The InChIKey is FFNXOGKIRCJIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF4N3O/c20-16-6-1-13(19(22,23)24)11-17(16)25-18(28)12-26-7-9-27(10-8-26)15-4-2-14(21)3-5-15/h1-6,11H,7-10,12H2,(H,25,28).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide has a molecular weight of 415.82 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 3236841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).