2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide

C18H24Cl2N2O2 — CID 108554619

IUPAC2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C18H24Cl2N2O2/c1-3-12(4-2)18(24)22-9-7-14(8-10-22)21-17(23)15-11-13(19)5-6-16(15)20/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,21,23)
InChIKeyRTYFBYQFWRYOEE-UHFFFAOYSA-N
MW371.31 g/mol
LogP4.15
Rot. Bonds5

About 2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide

2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide (PubChem CID 108554619) has the molecular formula C18H24Cl2N2O2 and a molecular weight of 371.31 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
PubChem CID108554619
Molecular FormulaC18H24Cl2N2O2
Molecular Weight371.31 g/mol
Exact Mass370.12
IUPAC Name2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C18H24Cl2N2O2/c1-3-12(4-2)18(24)22-9-7-14(8-10-22)21-17(23)15-11-13(19)5-6-16(15)20/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,21,23)
InChIKeyRTYFBYQFWRYOEE-UHFFFAOYSA-N
XLogP4.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
CID 108561589
methyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561576
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 55950772
2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide
CID 108561573
butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561579
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
1-(5-chloro-2-methoxybenzoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 55949123
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 110820045
2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108554637
4-chloro-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108550166
2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 108561587

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide (CID 108554619) is 2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide is CCC(CC)C(=O)N1CCC(NC(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide?
The InChIKey is RTYFBYQFWRYOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24Cl2N2O2/c1-3-12(4-2)18(24)22-9-7-14(8-10-22)21-17(23)15-11-13(19)5-6-16(15)20/h5-6,11-12,14H,3-4,7-10H2,1-2H3,(H,21,23).
What are the key properties of 2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide?
2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide has a molecular weight of 371.31 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108554619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).