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

C20H21ClF3N3O — CID 24534808

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H21ClF3N3O/c1-26-8-10-27(11-9-26)18-7-6-16(21)13-17(18)25-19(28)12-14-2-4-15(5-3-14)20(22,23)24/h2-7,13H,8-12H2,1H3,(H,25,28)
InChIKeyJWGASGMEKMIRQF-UHFFFAOYSA-N
MW411.86 g/mol
LogP4.29
Rot. Bonds4

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

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 24534808) has the molecular formula C20H21ClF3N3O and a molecular weight of 411.86 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID24534808
Molecular FormulaC20H21ClF3N3O
Molecular Weight411.86 g/mol
Exact Mass411.13
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H21ClF3N3O/c1-26-8-10-27(11-9-26)18-7-6-16(21)13-17(18)25-19(28)12-14-2-4-15(5-3-14)20(22,23)24/h2-7,13H,8-12H2,1H3,(H,25,28)
InChIKeyJWGASGMEKMIRQF-UHFFFAOYSA-N
XLogP4.29
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.86
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24535040
N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 698325
N-(5-chloro-2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534714
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide
CID 18196017
2-(4-acetamidophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16561278
N-[2-(4-butanoylpiperazin-1-yl)-5-chlorophenyl]-2-(4-chlorophenyl)acetamide
CID 17091526
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide
CID 7406867
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806049
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 7491964
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 18082342
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(ethylsulfanylmethyl)benzamide
CID 60528224
2-(4-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 51273382

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide (CID 24534808) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is CN1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JWGASGMEKMIRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF3N3O/c1-26-8-10-27(11-9-26)18-7-6-16(21)13-17(18)25-19(28)12-14-2-4-15(5-3-14)20(22,23)24/h2-7,13H,8-12H2,1H3,(H,25,28).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 411.86 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24534808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).