N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide

C13H17Cl2N3O — CID 82704869

IUPACN-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CNCCN1CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2N3O/c1-9-7-16-4-5-18(9)8-13(19)17-12-6-10(14)2-3-11(12)15/h2-3,6,9,16H,4-5,7-8H2,1H3,(H,17,19)/t9-/m0/s1
InChIKeyBJAQJBTXKDINDT-VIFPVBQESA-N
MW302.20 g/mol
LogP2.23
Rot. Bonds3

About N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide

N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (PubChem CID 82704869) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
PubChem CID82704869
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC NameN-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
SMILESC[C@H]1CNCCN1CC(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2N3O/c1-9-7-16-4-5-18(9)8-13(19)17-12-6-10(14)2-3-11(12)15/h2-3,6,9,16H,4-5,7-8H2,1H3,(H,17,19)/t9-/m0/s1
InChIKeyBJAQJBTXKDINDT-VIFPVBQESA-N
XLogP2.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-3-(2-methylpiperazin-1-yl)propanamide;hydrochloride
CID 119916621
N-(2-chloro-4-methylphenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62673321
N-(2,6-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82713393
N-(2,4-difluorophenyl)-2-[(2R)-2-methylpiperazin-1-yl]acetamide
CID 82713919
N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755103
N-(2-methylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704678
N-(2,4-dimethylphenyl)-2-(2-methylpiperazin-1-yl)acetamide;hydrochloride
CID 119916399
N-(2-iodophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82714024
N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704766
N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975276
N-(4-fluorophenyl)-2-(2-methylpiperazin-1-yl)acetamide
CID 62672477
2-(1,4-diazepan-1-yl)-N-(2,5-dichlorophenyl)acetamide;hydrochloride
CID 119906433

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide (CID 82704869) is N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is C[C@H]1CNCCN1CC(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
The InChIKey is BJAQJBTXKDINDT-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-9-7-16-4-5-18(9)8-13(19)17-12-6-10(14)2-3-11(12)15/h2-3,6,9,16H,4-5,7-8H2,1H3,(H,17,19)/t9-/m0/s1.
What are the key properties of N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide?
N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide has a molecular weight of 302.20 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide is sourced from PubChem (CID 82704869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).