(2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide

C20H23Cl2N3O2 — CID 1293927

IUPAC(2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C20H23Cl2N3O2/c1-14(27-19-8-3-15(21)13-18(19)22)20(26)23-16-4-6-17(7-5-16)25-11-9-24(2)10-12-25/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)/t14-/m1/s1
InChIKeyCPDQMHWCVLERNY-CQSZACIVSA-N
MW408.33 g/mol
LogP4.15
Rot. Bonds5

About (2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide

(2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide (PubChem CID 1293927) has the molecular formula C20H23Cl2N3O2 and a molecular weight of 408.33 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
PubChem CID1293927
Molecular FormulaC20H23Cl2N3O2
Molecular Weight408.33 g/mol
Exact Mass407.12
IUPAC Name(2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C20H23Cl2N3O2/c1-14(27-19-8-3-15(21)13-18(19)22)20(26)23-16-4-6-17(7-5-16)25-11-9-24(2)10-12-25/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)/t14-/m1/s1
InChIKeyCPDQMHWCVLERNY-CQSZACIVSA-N
XLogP4.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 54.15
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

(2R)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 1093478
(2S)-2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 25336134
2-(4-chlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 17419365
2-(2,4-dichlorophenoxy)-N-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]phenyl]propanamide
CID 4237560
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
(2R)-2-(2,5-dimethylphenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 95712980
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
(2S)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide
CID 92654185
(2R)-2-(2,4-dichlorophenoxy)-N-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]propanamide
CID 92654184
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
(2S)-2-(2,4-dichlorophenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide
CID 124835798

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide (CID 1293927) is (2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The canonical SMILES for (2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide is C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of (2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
The InChIKey is CPDQMHWCVLERNY-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23Cl2N3O2/c1-14(27-19-8-3-15(21)13-18(19)22)20(26)23-16-4-6-17(7-5-16)25-11-9-24(2)10-12-25/h3-8,13-14H,9-12H2,1-2H3,(H,23,26)/t14-/m1/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide?
(2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide has a molecular weight of 408.33 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide is sourced from PubChem (CID 1293927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).