N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide

C20H21ClF3N3O2 — CID 4218803

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H21ClF3N3O2/c1-29-18-5-3-2-4-17(18)27-10-8-26(9-11-27)13-19(28)25-14-6-7-16(21)15(12-14)20(22,23)24/h2-7,12H,8-11,13H2,1H3,(H,25,28)
InChIKeyBJGSHJCBKOQDNT-UHFFFAOYSA-N
MW427.85 g/mol
LogP4.13
Rot. Bonds5

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 4218803) has the molecular formula C20H21ClF3N3O2 and a molecular weight of 427.85 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID4218803
Molecular FormulaC20H21ClF3N3O2
Molecular Weight427.85 g/mol
Exact Mass427.13
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H21ClF3N3O2/c1-29-18-5-3-2-4-17(18)27-10-8-26(9-11-27)13-19(28)25-14-6-7-16(21)15(12-14)20(22,23)24/h2-7,12H,8-11,13H2,1H3,(H,25,28)
InChIKeyBJGSHJCBKOQDNT-UHFFFAOYSA-N
XLogP4.13
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide (CID 4218803) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is BJGSHJCBKOQDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O2/c1-29-18-5-3-2-4-17(18)27-10-8-26(9-11-27)13-19(28)25-14-6-7-16(21)15(12-14)20(22,23)24/h2-7,12H,8-11,13H2,1H3,(H,25,28).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 427.85 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 4218803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).