2-[5-chloro-2-(chloromethyl)phenyl]acetamide

C9H9Cl2NO — CID 90923910

IUPAC2-[5-chloro-2-(chloromethyl)phenyl]acetamide
SMILESNC(=O)Cc1cc(Cl)ccc1CCl
InChIInChI=1S/C9H9Cl2NO/c10-5-6-1-2-8(11)3-7(6)4-9(12)13/h1-3H,4-5H2,(H2,12,13)
InChIKeyCVJNYGSGUGOKAL-UHFFFAOYSA-N
MW218.08 g/mol
LogP2.11
Rot. Bonds3

About 2-[5-chloro-2-(chloromethyl)phenyl]acetamide

2-[5-chloro-2-(chloromethyl)phenyl]acetamide (PubChem CID 90923910) has the molecular formula C9H9Cl2NO and a molecular weight of 218.08 g/mol. Its IUPAC name is 2-[5-chloro-2-(chloromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-(chloromethyl)phenyl]acetamide
PubChem CID90923910
Molecular FormulaC9H9Cl2NO
Molecular Weight218.08 g/mol
Exact Mass217.01
IUPAC Name2-[5-chloro-2-(chloromethyl)phenyl]acetamide
SMILESNC(=O)Cc1cc(Cl)ccc1CCl
InChIInChI=1S/C9H9Cl2NO/c10-5-6-1-2-8(11)3-7(6)4-9(12)13/h1-3H,4-5H2,(H2,12,13)
InChIKeyCVJNYGSGUGOKAL-UHFFFAOYSA-N
XLogP2.11
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.08
LogP ≤ 52.11
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-[2-(2-amino-2-oxoethyl)-5-chlorophenyl]-2,2-difluoroacetic acid
CID 57020731
[4-chloro-2-(chloromethyl)phenyl] acetate
CID 13254480
azane;1,4-dichloro-2-(chloromethyl)benzene
CID 174958411
2-[2-[(5-chloro-2-fluorophenyl)methylamino]phenyl]acetamide
CID 75431880
4-chloro-2-(chloromethyl)-1-iodobenzene
CID 58677341
2-[4-chloro-2-(hydroxymethyl)phenyl]acetic acid
CID 69113345
[4-chloro-2-(chloromethyl)phenyl]hydrazine
CID 130951605
2-(2,5-difluorophenyl)acetamide
CID 21245498
2-[(2-bromo-4-chlorophenyl)methylamino]oxyacetamide
CID 112672620
2-[2-(aminomethyl)-N-(2-amino-2-oxoethyl)-4-chloroanilino]acetamide
CID 62923094
(4-chloro-2-ethylphenyl) hydrogen carbonate
CID 67350098
2-[4-[(2,5-dichlorophenyl)methylamino]phenyl]acetamide
CID 103844946

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-(chloromethyl)phenyl]acetamide?
The IUPAC name of 2-[5-chloro-2-(chloromethyl)phenyl]acetamide (CID 90923910) is 2-[5-chloro-2-(chloromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[5-chloro-2-(chloromethyl)phenyl]acetamide?
The canonical SMILES for 2-[5-chloro-2-(chloromethyl)phenyl]acetamide is NC(=O)Cc1cc(Cl)ccc1CCl.
What is the InChIKey of 2-[5-chloro-2-(chloromethyl)phenyl]acetamide?
The InChIKey is CVJNYGSGUGOKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO/c10-5-6-1-2-8(11)3-7(6)4-9(12)13/h1-3H,4-5H2,(H2,12,13).
What are the key properties of 2-[5-chloro-2-(chloromethyl)phenyl]acetamide?
2-[5-chloro-2-(chloromethyl)phenyl]acetamide has a molecular weight of 218.08 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-(chloromethyl)phenyl]acetamide is sourced from PubChem (CID 90923910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).