4-[2-(2-chloroethoxy)ethoxy]benzamide

C11H14ClNO3 — CID 63664208

IUPAC4-[2-(2-chloroethoxy)ethoxy]benzamide
SMILESNC(=O)c1ccc(OCCOCCCl)cc1
InChIInChI=1S/C11H14ClNO3/c12-5-6-15-7-8-16-10-3-1-9(2-4-10)11(13)14/h1-4H,5-8H2,(H2,13,14)
InChIKeyRQLMXXQNLBXYSJ-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.42
Rot. Bonds7

About 4-[2-(2-chloroethoxy)ethoxy]benzamide

4-[2-(2-chloroethoxy)ethoxy]benzamide (PubChem CID 63664208) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 4-[2-(2-chloroethoxy)ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-(2-chloroethoxy)ethoxy]benzamide
PubChem CID63664208
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name4-[2-(2-chloroethoxy)ethoxy]benzamide
SMILESNC(=O)c1ccc(OCCOCCCl)cc1
InChIInChI=1S/C11H14ClNO3/c12-5-6-15-7-8-16-10-3-1-9(2-4-10)11(13)14/h1-4H,5-8H2,(H2,13,14)
InChIKeyRQLMXXQNLBXYSJ-UHFFFAOYSA-N
XLogP1.42
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-(2-chloroethoxy)ethoxy]benzamide 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

4-[2-(2-hydroxyethoxy)ethoxy]benzamide
CID 61076061
4-[2-(2-aminoethoxy)ethoxy]benzamide
CID 82146872
4-(4-propoxyphenyl)benzamide
CID 23771495
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride
CID 141339492
2,6-bis[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]naphthalene
CID 10554662
1-tert-butyl-4-[2-(2-chloroethoxy)ethoxy]benzene
CID 63665426
4-(4,4,4-trifluorobutoxy)benzamide
CID 169016567
methyl 3-(4-carbamoylphenoxy)propanoate
CID 28879864
4-(4-chlorobut-2-ynoxy)benzamide
CID 53406819
2-(4-carbamoylphenoxy)ethylcarbamic acid
CID 18523671
4-[2-(3-bromophenoxy)ethoxy]benzamide
CID 26217003
4-[2-(2-methylphenoxy)ethoxy]benzamide
CID 7893411

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloroethoxy)ethoxy]benzamide?
The IUPAC name of 4-[2-(2-chloroethoxy)ethoxy]benzamide (CID 63664208) is 4-[2-(2-chloroethoxy)ethoxy]benzamide.
What is the SMILES notation for 4-[2-(2-chloroethoxy)ethoxy]benzamide?
The canonical SMILES for 4-[2-(2-chloroethoxy)ethoxy]benzamide is NC(=O)c1ccc(OCCOCCCl)cc1.
What is the InChIKey of 4-[2-(2-chloroethoxy)ethoxy]benzamide?
The InChIKey is RQLMXXQNLBXYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c12-5-6-15-7-8-16-10-3-1-9(2-4-10)11(13)14/h1-4H,5-8H2,(H2,13,14).
What are the key properties of 4-[2-(2-chloroethoxy)ethoxy]benzamide?
4-[2-(2-chloroethoxy)ethoxy]benzamide has a molecular weight of 243.69 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloroethoxy)ethoxy]benzamide is sourced from PubChem (CID 63664208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).