2-(3-chlorophenyl)-N-[1-[(3-iodophenyl)methyl]piperidin-4-yl]acetamide

C20H22ClIN2O — CID 11016132

IUPAC2-(3-chlorophenyl)-N-[1-[(3-iodophenyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1CCN(Cc2cccc(I)c2)CC1
InChIInChI=1S/C20H22ClIN2O/c21-17-5-1-3-15(11-17)13-20(25)23-19-7-9-24(10-8-19)14-16-4-2-6-18(22)12-16/h1-6,11-12,19H,7-10,13-14H2,(H,23,25)
InChIKeyGDWQRQGLRYZDPH-UHFFFAOYSA-N
MW468.77 g/mol
LogP4.27
Rot. Bonds5

About 2-(3-chlorophenyl)-N-[1-[(3-iodophenyl)methyl]piperidin-4-yl]acetamide

2-(3-chlorophenyl)-N-[1-[(3-iodophenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 11016132) has the molecular formula C20H22ClIN2O and a molecular weight of 468.77 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[1-[(3-iodophenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[1-[(3-iodophenyl)methyl]piperidin-4-yl]acetamide
PubChem CID11016132
Molecular FormulaC20H22ClIN2O
Molecular Weight468.77 g/mol
Exact Mass468.05
IUPAC Name2-(3-chlorophenyl)-N-[1-[(3-iodophenyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(Cc1cccc(Cl)c1)NC1CCN(Cc2cccc(I)c2)CC1
InChIInChI=1S/C20H22ClIN2O/c21-17-5-1-3-15(11-17)13-20(25)23-19-7-9-24(10-8-19)14-16-4-2-6-18(22)12-16/h1-6,11-12,19H,7-10,13-14H2,(H,23,25)
InChIKeyGDWQRQGLRYZDPH-UHFFFAOYSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.77
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[1-[(3-iodophenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[1-[(3-iodophenyl)methyl]piperidin-4-yl]acetamide (CID 11016132) is 2-(3-chlorophenyl)-N-[1-[(3-iodophenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[1-[(3-iodophenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[1-[(3-iodophenyl)methyl]piperidin-4-yl]acetamide is O=C(Cc1cccc(Cl)c1)NC1CCN(Cc2cccc(I)c2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[1-[(3-iodophenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is GDWQRQGLRYZDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClIN2O/c21-17-5-1-3-15(11-17)13-20(25)23-19-7-9-24(10-8-19)14-16-4-2-6-18(22)12-16/h1-6,11-12,19H,7-10,13-14H2,(H,23,25).
What are the key properties of 2-(3-chlorophenyl)-N-[1-[(3-iodophenyl)methyl]piperidin-4-yl]acetamide?
2-(3-chlorophenyl)-N-[1-[(3-iodophenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 468.77 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[1-[(3-iodophenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 11016132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).