N-[2-(3-chlorophenyl)phenyl]-2-piperidin-4-ylacetamide

C19H21ClN2O — CID 46890847

IUPACN-[2-(3-chlorophenyl)phenyl]-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)Nc1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O/c20-16-5-3-4-15(13-16)17-6-1-2-7-18(17)22-19(23)12-14-8-10-21-11-9-14/h1-7,13-14,21H,8-12H2,(H,22,23)
InChIKeyGDOREWDWKGBUPI-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.34
Rot. Bonds4

About N-[2-(3-chlorophenyl)phenyl]-2-piperidin-4-ylacetamide

N-[2-(3-chlorophenyl)phenyl]-2-piperidin-4-ylacetamide (PubChem CID 46890847) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)phenyl]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)phenyl]-2-piperidin-4-ylacetamide
PubChem CID46890847
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN-[2-(3-chlorophenyl)phenyl]-2-piperidin-4-ylacetamide
SMILESO=C(CC1CCNCC1)Nc1ccccc1-c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O/c20-16-5-3-4-15(13-16)17-6-1-2-7-18(17)22-19(23)12-14-8-10-21-11-9-14/h1-7,13-14,21H,8-12H2,(H,22,23)
InChIKeyGDOREWDWKGBUPI-UHFFFAOYSA-N
XLogP4.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)phenyl]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[2-(3-chlorophenyl)phenyl]-2-piperidin-4-ylacetamide (CID 46890847) is N-[2-(3-chlorophenyl)phenyl]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)phenyl]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)phenyl]-2-piperidin-4-ylacetamide is O=C(CC1CCNCC1)Nc1ccccc1-c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)phenyl]-2-piperidin-4-ylacetamide?
The InChIKey is GDOREWDWKGBUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-16-5-3-4-15(13-16)17-6-1-2-7-18(17)22-19(23)12-14-8-10-21-11-9-14/h1-7,13-14,21H,8-12H2,(H,22,23).
What are the key properties of N-[2-(3-chlorophenyl)phenyl]-2-piperidin-4-ylacetamide?
N-[2-(3-chlorophenyl)phenyl]-2-piperidin-4-ylacetamide has a molecular weight of 328.84 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)phenyl]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 46890847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).