(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide

C19H20Cl3N3O — CID 7858169

IUPAC(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20Cl3N3O/c1-13(19(26)23-18-6-5-15(21)12-17(18)22)24-7-9-25(10-8-24)16-4-2-3-14(20)11-16/h2-6,11-13H,7-10H2,1H3,(H,23,26)/t13-/m0/s1
InChIKeyDVHIKCMTOTZZOQ-ZDUSSCGKSA-N
MW412.75 g/mol
LogP4.80
Rot. Bonds4

About (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide

(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide (PubChem CID 7858169) has the molecular formula C19H20Cl3N3O and a molecular weight of 412.75 g/mol. Its IUPAC name is (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide
PubChem CID7858169
Molecular FormulaC19H20Cl3N3O
Molecular Weight412.75 g/mol
Exact Mass411.07
IUPAC Name(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20Cl3N3O/c1-13(19(26)23-18-6-5-15(21)12-17(18)22)24-7-9-25(10-8-24)16-4-2-3-14(20)11-16/h2-6,11-13H,7-10H2,1H3,(H,23,26)/t13-/m0/s1
InChIKeyDVHIKCMTOTZZOQ-ZDUSSCGKSA-N
XLogP4.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.75
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
CID 9442745
N-(2,4-dichlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 46800951
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 51168008
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,4-dichlorophenyl)propanamide
CID 2690225
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9442657
N-(4-chloro-2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 55430380
N-(2,4-dichlorophenyl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111114146
N-(2-chloro-4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51167962
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide
CID 46043602
N-(3-chlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46162196
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(cyclopropylcarbamoyl)propanamide
CID 25347067
(2R)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]propanamide
CID 9442631

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide (CID 7858169) is (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide is C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is DVHIKCMTOTZZOQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20Cl3N3O/c1-13(19(26)23-18-6-5-15(21)12-17(18)22)24-7-9-25(10-8-24)16-4-2-3-14(20)11-16/h2-6,11-13H,7-10H2,1H3,(H,23,26)/t13-/m0/s1.
What are the key properties of (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide?
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide has a molecular weight of 412.75 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 7858169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).