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

C19H19ClF3N3O — CID 1224062

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C19H19ClF3N3O/c20-16-7-6-14(19(21,22)23)12-17(16)24-18(27)13-25-8-10-26(11-9-25)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,24,27)
InChIKeyFDAIYWOUCNNSGG-UHFFFAOYSA-N
MW397.83 g/mol
LogP4.12
Rot. Bonds4

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

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide (PubChem CID 1224062) has the molecular formula C19H19ClF3N3O and a molecular weight of 397.83 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
PubChem CID1224062
Molecular FormulaC19H19ClF3N3O
Molecular Weight397.83 g/mol
Exact Mass397.12
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C19H19ClF3N3O/c20-16-7-6-14(19(21,22)23)12-17(16)24-18(27)13-25-8-10-26(11-9-25)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,24,27)
InChIKeyFDAIYWOUCNNSGG-UHFFFAOYSA-N
XLogP4.12
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 54.12
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
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
N(O-Clph)-3-N'-piperidinoacetamide
CID 779151
N-(2-chlorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4647384
2-[4-(4-fluorobenzyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 5062173

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide (CID 1224062) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide?
The InChIKey is FDAIYWOUCNNSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N3O/c20-16-7-6-14(19(21,22)23)12-17(16)24-18(27)13-25-8-10-26(11-9-25)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,24,27).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide has a molecular weight of 397.83 g/mol, XLogP of 4.12, 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-phenylpiperazin-1-yl)acetamide is sourced from PubChem (CID 1224062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).