(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide

C22H28ClN3O2 — CID 51927903

IUPAC(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide
SMILESCOCCN1CCN([C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)CC1
InChIInChI=1S/C22H28ClN3O2/c1-17-8-9-19(16-20(17)23)24-22(27)21(18-6-4-3-5-7-18)26-12-10-25(11-13-26)14-15-28-2/h3-9,16,21H,10-15H2,1-2H3,(H,24,27)/t21-/m1/s1
InChIKeyNHSDAKGIWKKYLS-OAQYLSRUSA-N
MW401.94 g/mol
LogP3.59
Rot. Bonds7

About (2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide

(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 51927903) has the molecular formula C22H28ClN3O2 and a molecular weight of 401.94 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID51927903
Molecular FormulaC22H28ClN3O2
Molecular Weight401.94 g/mol
Exact Mass401.19
IUPAC Name(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide
SMILESCOCCN1CCN([C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)CC1
InChIInChI=1S/C22H28ClN3O2/c1-17-8-9-19(16-20(17)23)24-22(27)21(18-6-4-3-5-7-18)26-12-10-25(11-13-26)14-15-28-2/h3-9,16,21H,10-15H2,1-2H3,(H,24,27)/t21-/m1/s1
InChIKeyNHSDAKGIWKKYLS-OAQYLSRUSA-N
XLogP3.59
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.94
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide
CID 30736150
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896671
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30628130
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896689
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896685
(2S)-N-(3-chloro-4-methoxyphenyl)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-2-phenylacetamide
CID 30621176
(2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
CID 2657012
(2R)-N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 2549166
(2S)-N-(3-chloro-4-methylphenyl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide
CID 30739823
N-(3-chloro-4-methoxyphenyl)-2-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 55470928
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86964025
(2R)-N-(4-fluorophenyl)-2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-phenylacetamide
CID 124514274

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide (CID 51927903) is (2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide is COCCN1CCN([C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)CC1.
What is the InChIKey of (2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is NHSDAKGIWKKYLS-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28ClN3O2/c1-17-8-9-19(16-20(17)23)24-22(27)21(18-6-4-3-5-7-18)26-12-10-25(11-13-26)14-15-28-2/h3-9,16,21H,10-15H2,1-2H3,(H,24,27)/t21-/m1/s1.
What are the key properties of (2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide?
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 401.94 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 51927903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).