2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide

C23H25Cl2N3O3 — CID 55838422

IUPAC2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C23H25Cl2N3O3/c1-14-6-3-4-7-17(14)21(29)27-16-10-12-28(13-11-16)23(31)15(2)26-22(30)18-8-5-9-19(24)20(18)25/h3-9,15-16H,10-13H2,1-2H3,(H,26,30)(H,27,29)
InChIKeySLLYZWJYTOASFB-UHFFFAOYSA-N
MW462.38 g/mol
LogP3.84
Rot. Bonds5

About 2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide

2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide (PubChem CID 55838422) has the molecular formula C23H25Cl2N3O3 and a molecular weight of 462.38 g/mol. Its IUPAC name is 2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
PubChem CID55838422
Molecular FormulaC23H25Cl2N3O3
Molecular Weight462.38 g/mol
Exact Mass461.13
IUPAC Name2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C23H25Cl2N3O3/c1-14-6-3-4-7-17(14)21(29)27-16-10-12-28(13-11-16)23(31)15(2)26-22(30)18-8-5-9-19(24)20(18)25/h3-9,15-16H,10-13H2,1-2H3,(H,26,30)(H,27,29)
InChIKeySLLYZWJYTOASFB-UHFFFAOYSA-N
XLogP3.84
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3R)-3-aminopyrrolidin-1-yl]-1-oxopropan-2-yl]-2,3-dichlorobenzamide
CID 119412842
2-methyl-N-[1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidin-4-yl]benzamide
CID 55689247
2-chloro-N-[1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 110878743
2,3-dichloro-N-[1-[(4-methylcyclohexyl)amino]-1-oxopropan-2-yl]benzamide
CID 55739288
2-methyl-N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 108557669
2,3-dichloro-N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]benzamide
CID 119418007
N-[1-[(2-chlorophenyl)carbamothioyl]piperidin-4-yl]-2-methylbenzamide
CID 43814168
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
2-methyl-N-[1-[2-(3-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzamide
CID 55796186
N-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]-2-methylbenzamide;hydrochloride
CID 119721491
N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 119721458
2,3-dichloro-N-[1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55956189

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide (CID 55838422) is 2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)C(C)NC(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The InChIKey is SLLYZWJYTOASFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N3O3/c1-14-6-3-4-7-17(14)21(29)27-16-10-12-28(13-11-16)23(31)15(2)26-22(30)18-8-5-9-19(24)20(18)25/h3-9,15-16H,10-13H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide has a molecular weight of 462.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[1-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55838422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).