2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide

C21H22Cl2N2O3 — CID 108554611

IUPAC2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)CCOc2ccccc2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C21H22Cl2N2O3/c22-15-6-7-19(23)18(14-15)21(27)24-16-8-11-25(12-9-16)20(26)10-13-28-17-4-2-1-3-5-17/h1-7,14,16H,8-13H2,(H,24,27)
InChIKeyZHQZXSZUFHJFHZ-UHFFFAOYSA-N
MW421.32 g/mol
LogP4.18
Rot. Bonds6

About 2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide

2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide (PubChem CID 108554611) has the molecular formula C21H22Cl2N2O3 and a molecular weight of 421.32 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
PubChem CID108554611
Molecular FormulaC21H22Cl2N2O3
Molecular Weight421.32 g/mol
Exact Mass420.10
IUPAC Name2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)CCOc2ccccc2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C21H22Cl2N2O3/c22-15-6-7-19(23)18(14-15)21(27)24-16-8-11-25(12-9-16)20(26)10-13-28-17-4-2-1-3-5-17/h1-7,14,16H,8-13H2,(H,24,27)
InChIKeyZHQZXSZUFHJFHZ-UHFFFAOYSA-N
XLogP4.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549375
2,5-dichloro-N-[1-(3-chloropropanoyl)piperidin-4-yl]benzamide
CID 108561573
2-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 39512486
2,5-dichloro-N-[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108554600
2,5-dichloro-N-[1-(2-chloroacetyl)piperidin-4-yl]benzamide
CID 108561589
2-methoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549234
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
4-methyl-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide
CID 108549132
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-2,2-diphenylacetamide
CID 108549605
2,5-dichloro-N-[1-(2-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108554581
2-chloroethyl N-[1-(3-phenoxypropanoyl)piperidin-4-yl]carbamate
CID 108565920
N-[1-(3-phenoxypropanoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558573

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide (CID 108554611) is 2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)CCOc2ccccc2)CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide?
The InChIKey is ZHQZXSZUFHJFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O3/c22-15-6-7-19(23)18(14-15)21(27)24-16-8-11-25(12-9-16)20(26)10-13-28-17-4-2-1-3-5-17/h1-7,14,16H,8-13H2,(H,24,27).
What are the key properties of 2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide?
2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide has a molecular weight of 421.32 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108554611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).