2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide

C12H16ClNO — CID 166408958

IUPAC2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide
SMILESCCc1ccccc1CCNC(=O)CCl
InChIInChI=1S/C12H16ClNO/c1-2-10-5-3-4-6-11(10)7-8-14-12(15)9-13/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyBWFFARUMIVPYEE-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.15
Rot. Bonds5

About 2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide

2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide (PubChem CID 166408958) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide
PubChem CID166408958
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide
SMILESCCc1ccccc1CCNC(=O)CCl
InChIInChI=1S/C12H16ClNO/c1-2-10-5-3-4-6-11(10)7-8-14-12(15)9-13/h3-6H,2,7-9H2,1H3,(H,14,15)
InChIKeyBWFFARUMIVPYEE-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(3-chloro-2-fluorophenyl)ethyl]acetamide
CID 166409215
N-[2-(3-bromo-2-chlorophenyl)ethyl]-2-chloroacetamide
CID 166431390
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
methyl 3-[2-[[(2-chloroacetyl)amino]methyl]phenyl]propanoate
CID 166409208
N-[2-(2-ethylphenyl)ethyl]-4-hydroxy-2-methyl-5-(sulfanylamino)pentanamide
CID 144626110
2-(ethylamino)-N-[2-(2-methylphenyl)ethyl]acetamide
CID 78912717
N-[2-(2-methylsulfonylphenyl)ethyl]propanamide
CID 110477488
carbonic acid;1,2-diethylbenzene
CID 89388803
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948280
2-chloro-N-[(N-(2-chloroacetyl)-2,6-diethylanilino)methyl]acetamide
CID 154317163
2-[2-(butanoylamino)ethyl]benzamide
CID 66868335

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide (CID 166408958) is 2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide is CCc1ccccc1CCNC(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide?
The InChIKey is BWFFARUMIVPYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-2-10-5-3-4-6-11(10)7-8-14-12(15)9-13/h3-6H,2,7-9H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide?
2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide has a molecular weight of 225.72 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 166408958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).