N-[2-(chloromethyl)phenyl]-2-(3-chlorophenoxy)acetamide

C15H13Cl2NO2 — CID 114298101

IUPACN-[2-(chloromethyl)phenyl]-2-(3-chlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1)Nc1ccccc1CCl
InChIInChI=1S/C15H13Cl2NO2/c16-9-11-4-1-2-7-14(11)18-15(19)10-20-13-6-3-5-12(17)8-13/h1-8H,9-10H2,(H,18,19)
InChIKeyXWTLAZMEBNNWER-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.10
Rot. Bonds5

About N-[2-(chloromethyl)phenyl]-2-(3-chlorophenoxy)acetamide

N-[2-(chloromethyl)phenyl]-2-(3-chlorophenoxy)acetamide (PubChem CID 114298101) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is N-[2-(chloromethyl)phenyl]-2-(3-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)phenyl]-2-(3-chlorophenoxy)acetamide
PubChem CID114298101
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC NameN-[2-(chloromethyl)phenyl]-2-(3-chlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1)Nc1ccccc1CCl
InChIInChI=1S/C15H13Cl2NO2/c16-9-11-4-1-2-7-14(11)18-15(19)10-20-13-6-3-5-12(17)8-13/h1-8H,9-10H2,(H,18,19)
InChIKeyXWTLAZMEBNNWER-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenoxy)-N-(2-phenylphenyl)acetamide
CID 7818854
2-(3-chlorophenoxy)-N-(2-nitrophenyl)acetamide
CID 2788510
N-(4-chloro-2-methylphenyl)-2-(3-chlorophenoxy)acetamide
CID 2707661
2-(3-chlorophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2633081
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(3-chlorophenoxy)acetate
CID 7803995
2-(3-tert-butylphenoxy)-N-(2-ethylphenyl)acetamide
CID 112977620
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
N-[2-(1,3-benzothiazol-2-yl)phenyl]-2-(3-chlorophenoxy)acetamide
CID 42999622
N-[3-(bromomethyl)phenyl]-2-(3-chlorophenoxy)acetamide
CID 114307192
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
CID 7858908
2-[[2-(3-chlorophenoxy)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 132663328
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)phenyl]-2-(3-chlorophenoxy)acetamide?
The IUPAC name of N-[2-(chloromethyl)phenyl]-2-(3-chlorophenoxy)acetamide (CID 114298101) is N-[2-(chloromethyl)phenyl]-2-(3-chlorophenoxy)acetamide.
What is the SMILES notation for N-[2-(chloromethyl)phenyl]-2-(3-chlorophenoxy)acetamide?
The canonical SMILES for N-[2-(chloromethyl)phenyl]-2-(3-chlorophenoxy)acetamide is O=C(COc1cccc(Cl)c1)Nc1ccccc1CCl.
What is the InChIKey of N-[2-(chloromethyl)phenyl]-2-(3-chlorophenoxy)acetamide?
The InChIKey is XWTLAZMEBNNWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-9-11-4-1-2-7-14(11)18-15(19)10-20-13-6-3-5-12(17)8-13/h1-8H,9-10H2,(H,18,19).
What are the key properties of N-[2-(chloromethyl)phenyl]-2-(3-chlorophenoxy)acetamide?
N-[2-(chloromethyl)phenyl]-2-(3-chlorophenoxy)acetamide has a molecular weight of 310.18 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)phenyl]-2-(3-chlorophenoxy)acetamide is sourced from PubChem (CID 114298101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).