2-(3-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide

C21H23ClF3N3O2 — CID 55788115

IUPAC2-(3-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F
InChIInChI=1S/C21H23ClF3N3O2/c1-14(30-17-5-3-4-15(22)12-17)20(29)26-19-7-6-16(13-18(19)21(23,24)25)28-10-8-27(2)9-11-28/h3-7,12-14H,8-11H2,1-2H3,(H,26,29)
InChIKeyYQPNRZCHQUVATC-UHFFFAOYSA-N
MW441.88 g/mol
LogP4.52
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide

2-(3-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide (PubChem CID 55788115) has the molecular formula C21H23ClF3N3O2 and a molecular weight of 441.88 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide
PubChem CID55788115
Molecular FormulaC21H23ClF3N3O2
Molecular Weight441.88 g/mol
Exact Mass441.14
IUPAC Name2-(3-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F
InChIInChI=1S/C21H23ClF3N3O2/c1-14(30-17-5-3-4-15(22)12-17)20(29)26-19-7-6-16(13-18(19)21(23,24)25)28-10-8-27(2)9-11-28/h3-7,12-14H,8-11H2,1-2H3,(H,26,29)
InChIKeyYQPNRZCHQUVATC-UHFFFAOYSA-N
XLogP4.52
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.88
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]benzamide
CID 55788209
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9442657
(2R)-N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 2202420
5-(4-chlorophenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 55788114
2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 46770109
(2R)-2-(3-chlorophenoxy)-N-[(2S)-2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95604391
2-(2-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]acetamide
CID 55788020
2-(4-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 17419365
(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
(2R)-2-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 28575686
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide (CID 55788115) is 2-(3-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)Nc1ccc(N2CCN(C)CC2)cc1C(F)(F)F.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is YQPNRZCHQUVATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF3N3O2/c1-14(30-17-5-3-4-15(22)12-17)20(29)26-19-7-6-16(13-18(19)21(23,24)25)28-10-8-27(2)9-11-28/h3-7,12-14H,8-11H2,1-2H3,(H,26,29).
What are the key properties of 2-(3-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide?
2-(3-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 441.88 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 55788115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).