(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide

C19H20Cl3N3O2 — CID 41038243

IUPAC(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H20Cl3N3O2/c1-12(19(27)23-18-11-16(21)15(20)10-17(18)22)24-6-8-25(9-7-24)13-2-4-14(26)5-3-13/h2-5,10-12,26H,6-9H2,1H3,(H,23,27)/t12-/m1/s1
InChIKeyHVCBFCIPABFZTF-GFCCVEGCSA-N
MW428.75 g/mol
LogP4.50
Rot. Bonds4

About (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide

(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide (PubChem CID 41038243) has the molecular formula C19H20Cl3N3O2 and a molecular weight of 428.75 g/mol. Its IUPAC name is (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
PubChem CID41038243
Molecular FormulaC19H20Cl3N3O2
Molecular Weight428.75 g/mol
Exact Mass427.06
IUPAC Name(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H20Cl3N3O2/c1-12(19(27)23-18-11-16(21)15(20)10-17(18)22)24-6-8-25(9-7-24)13-2-4-14(26)5-3-13/h2-5,10-12,26H,6-9H2,1H3,(H,23,27)/t12-/m1/s1
InChIKeyHVCBFCIPABFZTF-GFCCVEGCSA-N
XLogP4.50
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.75
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 46630893
(2S)-N-(3,5-dichlorophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2096596
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51167962
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 42996447
(2R)-N-(2-acetylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 9276896
N-(2,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46800951
N-(4-acetamido-2-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 86968144
(2S)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-phenylpropanamide
CID 40729619
4-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969657
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]propanamide
CID 87019504
N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 51167878
N-(4-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 4264771

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide?
The IUPAC name of (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide (CID 41038243) is (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide is C[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide?
The InChIKey is HVCBFCIPABFZTF-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20Cl3N3O2/c1-12(19(27)23-18-11-16(21)15(20)10-17(18)22)24-6-8-25(9-7-24)13-2-4-14(26)5-3-13/h2-5,10-12,26H,6-9H2,1H3,(H,23,27)/t12-/m1/s1.
What are the key properties of (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide?
(2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide has a molecular weight of 428.75 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 41038243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).