N-[2-(2-chlorophenyl)ethyl]acetamide

C10H12ClNO — CID 10397817

IUPACN-[2-(2-chlorophenyl)ethyl]acetamide
SMILESCC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C10H12ClNO/c1-8(13)12-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyBUWPHRTYGRCLKA-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.02
Rot. Bonds3

About N-[2-(2-chlorophenyl)ethyl]acetamide

N-[2-(2-chlorophenyl)ethyl]acetamide (PubChem CID 10397817) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]acetamide
PubChem CID10397817
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC NameN-[2-(2-chlorophenyl)ethyl]acetamide
SMILESCC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C10H12ClNO/c1-8(13)12-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKeyBUWPHRTYGRCLKA-UHFFFAOYSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]acetamide (CID 10397817) is N-[2-(2-chlorophenyl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]acetamide is CC(=O)NCCc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]acetamide?
The InChIKey is BUWPHRTYGRCLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-8(13)12-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3,(H,12,13).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]acetamide?
N-[2-(2-chlorophenyl)ethyl]acetamide has a molecular weight of 197.67 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]acetamide is sourced from PubChem (CID 10397817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).