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

C21H24Cl3N3O2 — CID 30635620

IUPAC(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C21H24Cl3N3O2/c1-15(21(28)25-20-14-18(23)17(22)13-19(20)24)27-9-7-26(8-10-27)11-12-29-16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H,25,28)/t15-/m1/s1
InChIKeyMWNVIPLKQHYKNY-OAHLLOKOSA-N
MW456.80 g/mol
LogP4.67
Rot. Bonds7

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

(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide (PubChem CID 30635620) has the molecular formula C21H24Cl3N3O2 and a molecular weight of 456.80 g/mol. Its IUPAC name is (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
PubChem CID30635620
Molecular FormulaC21H24Cl3N3O2
Molecular Weight456.80 g/mol
Exact Mass455.09
IUPAC Name(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C21H24Cl3N3O2/c1-15(21(28)25-20-14-18(23)17(22)13-19(20)24)27-9-7-26(8-10-27)11-12-29-16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H,25,28)/t15-/m1/s1
InChIKeyMWNVIPLKQHYKNY-OAHLLOKOSA-N
XLogP4.67
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.80
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2-chloro-4-fluorophenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 9259474
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 9259510
N-(2-bromo-4-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-yl]propanamide
CID 55432352
(2S)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9259545
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2-phenylsulfanylphenyl)propanamide
CID 55432351
(2S)-2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 30626970
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84965791
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 9348561
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370406
2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide
CID 55355629
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-propan-2-ylpropanamide
CID 85009172
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690189

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide?
The IUPAC name of (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide (CID 30635620) is (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide?
The canonical SMILES for (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide is C[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide?
The InChIKey is MWNVIPLKQHYKNY-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24Cl3N3O2/c1-15(21(28)25-20-14-18(23)17(22)13-19(20)24)27-9-7-26(8-10-27)11-12-29-16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3,(H,25,28)/t15-/m1/s1.
What are the key properties of (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide?
(2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide has a molecular weight of 456.80 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)propanamide is sourced from PubChem (CID 30635620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).