2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide

C22H23ClF3N3O3 — CID 17358413

IUPAC2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1
InChIInChI=1S/C22H23ClF3N3O3/c1-21(2,32-18-9-3-15(23)4-10-18)19(30)27-16-5-7-17(8-6-16)28-11-13-29(14-12-28)20(31)22(24,25)26/h3-10H,11-14H2,1-2H3,(H,27,30)
InChIKeySQZBXWYZYZBFDY-UHFFFAOYSA-N
MW469.89 g/mol
LogP4.35
Rot. Bonds5

About 2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide

2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide (PubChem CID 17358413) has the molecular formula C22H23ClF3N3O3 and a molecular weight of 469.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide
PubChem CID17358413
Molecular FormulaC22H23ClF3N3O3
Molecular Weight469.89 g/mol
Exact Mass469.14
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1
InChIInChI=1S/C22H23ClF3N3O3/c1-21(2,32-18-9-3-15(23)4-10-18)19(30)27-16-5-7-17(8-6-16)28-11-13-29(14-12-28)20(31)22(24,25)26/h3-10H,11-14H2,1-2H3,(H,27,30)
InChIKeySQZBXWYZYZBFDY-UHFFFAOYSA-N
XLogP4.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.89
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)-N-[4-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]phenyl]-2-methylpropanamide
CID 17335046
2-(4-chlorophenoxy)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-methylpropanamide
CID 90595323
4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518
2-(4-chlorophenoxy)-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]propanamide
CID 91968027
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329
2,4-dichloro-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]benzamide
CID 17050371
4-[4-[2-(4-chlorophenoxy)-2-methylpropanoyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720426
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(4-chlorophenyl)-2-methylpropanamide
CID 90767465
2-(4-chlorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 7551162
2-(4-chloro-3-methylphenoxy)-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]acetamide
CID 17358546
2-(4-bromophenoxy)-2-methyl-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]propanamide
CID 17313637
2-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoic acid
CID 22399353

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide (CID 17358413) is 2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide?
The InChIKey is SQZBXWYZYZBFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF3N3O3/c1-21(2,32-18-9-3-15(23)4-10-18)19(30)27-16-5-7-17(8-6-16)28-11-13-29(14-12-28)20(31)22(24,25)26/h3-10H,11-14H2,1-2H3,(H,27,30).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide?
2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide has a molecular weight of 469.89 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-[4-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]phenyl]propanamide is sourced from PubChem (CID 17358413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).