(2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide

C21H25Cl2N3O2 — CID 9430308

IUPAC(2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
SMILESCCOc1ccccc1N1CCN([C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C21H25Cl2N3O2/c1-3-28-19-10-5-4-9-18(19)26-13-11-25(12-14-26)15(2)21(27)24-20-16(22)7-6-8-17(20)23/h4-10,15H,3,11-14H2,1-2H3,(H,24,27)/t15-/m0/s1
InChIKeyMJHXSFIXCWOQMP-HNNXBMFYSA-N
MW422.36 g/mol
LogP4.54
Rot. Bonds6

About (2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide

(2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 9430308) has the molecular formula C21H25Cl2N3O2 and a molecular weight of 422.36 g/mol. Its IUPAC name is (2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
PubChem CID9430308
Molecular FormulaC21H25Cl2N3O2
Molecular Weight422.36 g/mol
Exact Mass421.13
IUPAC Name(2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
SMILESCCOc1ccccc1N1CCN([C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C21H25Cl2N3O2/c1-3-28-19-10-5-4-9-18(19)26-13-11-25(12-14-26)15(2)21(27)24-20-16(22)7-6-8-17(20)23/h4-10,15H,3,11-14H2,1-2H3,(H,24,27)/t15-/m0/s1
InChIKeyMJHXSFIXCWOQMP-HNNXBMFYSA-N
XLogP4.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.36
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(2,4,6-trichlorophenyl)propanamide
CID 2537382
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-naphthalen-1-ylpropanamide
CID 4824501
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 9430380
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(3-fluorophenyl)propanamide
CID 9430316
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9430320
(2S)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(propan-2-ylcarbamoyl)propanamide
CID 9430472
(2R)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide
CID 8691494
(2R)-N-(2,6-dichlorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 9445447
(2R)-N-(2,6-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
CID 9274926
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 8703505
(2R)-N-(2,6-dichlorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446073
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 78754849

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide (CID 9430308) is (2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide is CCOc1ccccc1N1CCN([C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of (2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is MJHXSFIXCWOQMP-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O2/c1-3-28-19-10-5-4-9-18(19)26-13-11-25(12-14-26)15(2)21(27)24-20-16(22)7-6-8-17(20)23/h4-10,15H,3,11-14H2,1-2H3,(H,24,27)/t15-/m0/s1.
What are the key properties of (2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide?
(2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 422.36 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,6-dichlorophenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 9430308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).