2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide

C23H27Cl2N3O3 — CID 112800513

IUPAC2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C23H27Cl2N3O3/c1-15(2)12-21(26-22(30)19-7-6-16(24)13-20(19)25)23(31)28-10-8-27(9-11-28)17-4-3-5-18(29)14-17/h3-7,13-15,21,29H,8-12H2,1-2H3,(H,26,30)
InChIKeyUHZLGHIHMYGSGY-UHFFFAOYSA-N
MW464.39 g/mol
LogP4.19
Rot. Bonds6

About 2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide

2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 112800513) has the molecular formula C23H27Cl2N3O3 and a molecular weight of 464.39 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
PubChem CID112800513
Molecular FormulaC23H27Cl2N3O3
Molecular Weight464.39 g/mol
Exact Mass463.14
IUPAC Name2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(c2cccc(O)c2)CC1
InChIInChI=1S/C23H27Cl2N3O3/c1-15(2)12-21(26-22(30)19-7-6-16(24)13-20(19)25)23(31)28-10-8-27(9-11-28)17-4-3-5-18(29)14-17/h3-7,13-15,21,29H,8-12H2,1-2H3,(H,26,30)
InChIKeyUHZLGHIHMYGSGY-UHFFFAOYSA-N
XLogP4.19
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.39
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 9146696
2,4-dichloro-N-[4-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 43051412
N-[1-(4-benzoylpiperidin-1-yl)-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 24682927
4-chloro-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 9254267
2,4-dichloro-N-[4-methyl-1-oxo-1-(3-oxopiperazin-1-yl)pentan-2-yl]benzamide
CID 42910019
N-[(2R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 26057214
N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-2,4-dichlorobenzamide
CID 40804285
2,4-dichloro-N-[1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52990853
2,4-dichloro-N-[(2S)-1-[2-(2-chlorobenzoyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl]benzamide
CID 52510980
4-chloro-N-[(2R)-4-methyl-1-[4-(2-methylphenyl)piperazin-1-yl]-1-oxopentan-2-yl]benzamide
CID 9152960
2-methyl-N-[(2R)-4-methyl-1-oxo-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 9254579
cyanomethyl (2S)-2-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoate
CID 7169258

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide (CID 112800513) is 2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CCN(c2cccc(O)c2)CC1.
What is the InChIKey of 2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is UHZLGHIHMYGSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N3O3/c1-15(2)12-21(26-22(30)19-7-6-16(24)13-20(19)25)23(31)28-10-8-27(9-11-28)17-4-3-5-18(29)14-17/h3-7,13-15,21,29H,8-12H2,1-2H3,(H,26,30).
What are the key properties of 2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide?
2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 464.39 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-[4-(3-hydroxyphenyl)piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 112800513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).