(2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide

C20H23Cl2N3O — CID 9442745

IUPAC(2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23Cl2N3O/c1-14-6-7-17(22)13-19(14)23-20(26)15(2)24-8-10-25(11-9-24)18-5-3-4-16(21)12-18/h3-7,12-13,15H,8-11H2,1-2H3,(H,23,26)/t15-/m0/s1
InChIKeyHQTPWXHNEMZBDJ-HNNXBMFYSA-N
MW392.33 g/mol
LogP4.45
Rot. Bonds4

About (2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide

(2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide (PubChem CID 9442745) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
PubChem CID9442745
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC Name(2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H23Cl2N3O/c1-14-6-7-17(22)13-19(14)23-20(26)15(2)24-8-10-25(11-9-24)18-5-3-4-16(21)12-18/h3-7,12-13,15H,8-11H2,1-2H3,(H,23,26)/t15-/m0/s1
InChIKeyHQTPWXHNEMZBDJ-HNNXBMFYSA-N
XLogP4.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)propanamide
CID 51168008
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4-dichlorophenyl)propanamide
CID 7858169
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431500
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]propanamide
CID 9445035
(2R)-2-(azocan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9460529
(2R)-2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)propanamide
CID 9249952
2-[4-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46681683
(2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 9442657
1-[1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119908247
N-(5-chloro-2-methylphenyl)-2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 55430844
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclohexylpropanamide
CID 46043602
N-(4-chloro-2-fluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 55430380

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide (CID 9442745) is (2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide is Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide?
The InChIKey is HQTPWXHNEMZBDJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c1-14-6-7-17(22)13-19(14)23-20(26)15(2)24-8-10-25(11-9-24)18-5-3-4-16(21)12-18/h3-7,12-13,15H,8-11H2,1-2H3,(H,23,26)/t15-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide?
(2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide has a molecular weight of 392.33 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-methylphenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 9442745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).