N-[2-(3-chlorophenyl)ethyl]-2-phenylacetamide

C16H16ClNO — CID 844859

IUPACN-[2-(3-chlorophenyl)ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO/c17-15-8-4-7-14(11-15)9-10-18-16(19)12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,18,19)
InChIKeyKZWYBZUSQABTBA-UHFFFAOYSA-N
MW273.76 g/mol
LogP3.24
Rot. Bonds5

About N-[2-(3-chlorophenyl)ethyl]-2-phenylacetamide

N-[2-(3-chlorophenyl)ethyl]-2-phenylacetamide (PubChem CID 844859) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-phenylacetamide
PubChem CID844859
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCCc1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO/c17-15-8-4-7-14(11-15)9-10-18-16(19)12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,18,19)
InChIKeyKZWYBZUSQABTBA-UHFFFAOYSA-N
XLogP3.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-phenylacetamide (CID 844859) is N-[2-(3-chlorophenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-phenylacetamide?
The InChIKey is KZWYBZUSQABTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c17-15-8-4-7-14(11-15)9-10-18-16(19)12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H,18,19).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-phenylacetamide?
N-[2-(3-chlorophenyl)ethyl]-2-phenylacetamide has a molecular weight of 273.76 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 844859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).