N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide

C14H17Cl2NO3 — CID 106300559

IUPACN-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1)NC1(CCl)CCOCC1
InChIInChI=1S/C14H17Cl2NO3/c15-10-14(4-6-19-7-5-14)17-13(18)9-20-12-3-1-2-11(16)8-12/h1-3,8H,4-7,9-10H2,(H,17,18)
InChIKeyKHJYHMDYPDAPAM-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.62
Rot. Bonds5

About N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide

N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide (PubChem CID 106300559) has the molecular formula C14H17Cl2NO3 and a molecular weight of 318.20 g/mol. Its IUPAC name is N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide
PubChem CID106300559
Molecular FormulaC14H17Cl2NO3
Molecular Weight318.20 g/mol
Exact Mass317.06
IUPAC NameN-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide
SMILESO=C(COc1cccc(Cl)c1)NC1(CCl)CCOCC1
InChIInChI=1S/C14H17Cl2NO3/c15-10-14(4-6-19-7-5-14)17-13(18)9-20-12-3-1-2-11(16)8-12/h1-3,8H,4-7,9-10H2,(H,17,18)
InChIKeyKHJYHMDYPDAPAM-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(3-chlorophenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 64889569
N-[1-(chloromethyl)-3-methylcyclohexyl]-2-(3-chlorophenoxy)acetamide
CID 114303938
2-(4-chlorophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954312
2-(3-chlorophenoxy)-N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]acetamide
CID 7818825
2-(3-chlorophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 103954217
2-chloro-N-[3-[(3-chlorophenyl)methyl]oxolan-3-yl]acetamide
CID 146076468
2-(3-chlorophenoxy)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 20994956
N-[4-(chloromethyl)oxan-4-yl]-2-(3-fluorophenyl)acetamide
CID 106300669
2-(3-chlorophenoxy)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362360
N-[4-(chloromethyl)oxan-4-yl]-3-(3-methylphenyl)propanamide
CID 106300497
2-(3-chlorophenoxy)-N-(methylcarbamoyl)acetamide
CID 2707679
2-(3-chlorophenoxy)-N-ethoxyacetamide
CID 60700548

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide?
The IUPAC name of N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide (CID 106300559) is N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide.
What is the SMILES notation for N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide?
The canonical SMILES for N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide is O=C(COc1cccc(Cl)c1)NC1(CCl)CCOCC1.
What is the InChIKey of N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide?
The InChIKey is KHJYHMDYPDAPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO3/c15-10-14(4-6-19-7-5-14)17-13(18)9-20-12-3-1-2-11(16)8-12/h1-3,8H,4-7,9-10H2,(H,17,18).
What are the key properties of N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide?
N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide has a molecular weight of 318.20 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)oxan-4-yl]-2-(3-chlorophenoxy)acetamide is sourced from PubChem (CID 106300559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).