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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Related Compounds

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
3-(4-Chloro-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide; oxalic acid
CID 11102013
(E)-3-(2-chlorophenyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]prop-2-enamide;oxalic acid
CID 44350728
N-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2653638
N-[(4-chlorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2655390
N-(3-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2264836
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 3238294
2-(4-{[(4-Chlorophenyl)carbamoyl]methyl}piperazin-1-YL)-N-(5-acetamido-2-methoxyphenyl)acetamide
CID 3243802
N-(2-methoxy-5-methylphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 3999001
N1-(4-chlorophenyl)-N2-(4-methoxyphenethyl)oxalamide
CID 2876208
6-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 10642106
2-(4-chlorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 16309068

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).