N-(1,4-benzodioxin-5-yl)-2-chloroacetamide

C10H8ClNO3 — CID 91313181

IUPACN-(1,4-benzodioxin-5-yl)-2-chloroacetamide
SMILESO=C(CCl)Nc1cccc2c1OC=CO2
InChIInChI=1S/C10H8ClNO3/c11-6-9(13)12-7-2-1-3-8-10(7)15-5-4-14-8/h1-5H,6H2,(H,12,13)
InChIKeyOSNYNMRMAYYIIL-UHFFFAOYSA-N
MW225.63 g/mol
LogP2.11
Rot. Bonds2

About N-(1,4-benzodioxin-5-yl)-2-chloroacetamide

N-(1,4-benzodioxin-5-yl)-2-chloroacetamide (PubChem CID 91313181) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is N-(1,4-benzodioxin-5-yl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(1,4-benzodioxin-5-yl)-2-chloroacetamide
PubChem CID91313181
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC NameN-(1,4-benzodioxin-5-yl)-2-chloroacetamide
SMILESO=C(CCl)Nc1cccc2c1OC=CO2
InChIInChI=1S/C10H8ClNO3/c11-6-9(13)12-7-2-1-3-8-10(7)15-5-4-14-8/h1-5H,6H2,(H,12,13)
InChIKeyOSNYNMRMAYYIIL-UHFFFAOYSA-N
XLogP2.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1,4-benzodioxin-5-yl)-2-chloroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(2-phenylphenyl)acetamide
CID 1129350
2-chloro-N-[2-(4-phenylphenyl)phenyl]acetamide
CID 175267400
2-chloro-N-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)acetamide
CID 167119083
2-chloro-N-[3-phenyl-2-(2-phenylanilino)phenyl]acetamide
CID 150000965
2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide
CID 166429832
2-chloro-N-(2,3-diethylphenyl)acetamide
CID 21117145
N-[2-(tert-butylamino)-3-chlorophenyl]-2-chloroacetamide
CID 18630356
methyl N-[3-[(2-chloroacetyl)amino]-2-methylphenyl]carbamate
CID 166415130
2-chloro-N-[2-(2,2,2-trifluoroacetyl)phenyl]acetamide
CID 174969003
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
2-chloro-N-(2-formylphenyl)acetamide
CID 12533349
2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979

Frequently Asked Questions

What is the IUPAC name of N-(1,4-benzodioxin-5-yl)-2-chloroacetamide?
The IUPAC name of N-(1,4-benzodioxin-5-yl)-2-chloroacetamide (CID 91313181) is N-(1,4-benzodioxin-5-yl)-2-chloroacetamide.
What is the SMILES notation for N-(1,4-benzodioxin-5-yl)-2-chloroacetamide?
The canonical SMILES for N-(1,4-benzodioxin-5-yl)-2-chloroacetamide is O=C(CCl)Nc1cccc2c1OC=CO2.
What is the InChIKey of N-(1,4-benzodioxin-5-yl)-2-chloroacetamide?
The InChIKey is OSNYNMRMAYYIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3/c11-6-9(13)12-7-2-1-3-8-10(7)15-5-4-14-8/h1-5H,6H2,(H,12,13).
What are the key properties of N-(1,4-benzodioxin-5-yl)-2-chloroacetamide?
N-(1,4-benzodioxin-5-yl)-2-chloroacetamide has a molecular weight of 225.63 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-benzodioxin-5-yl)-2-chloroacetamide is sourced from PubChem (CID 91313181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).