N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide

C13H18ClNO3 — CID 126723293

IUPACN-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide
SMILESO=C(NCCOCCOCCCl)c1ccccc1
InChIInChI=1S/C13H18ClNO3/c14-6-8-17-10-11-18-9-7-15-13(16)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,16)
InChIKeyNKAKYMVVFIKWRT-UHFFFAOYSA-N
MW271.74 g/mol
LogP1.69
Rot. Bonds9

About N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide

N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide (PubChem CID 126723293) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide
PubChem CID126723293
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC NameN-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide
SMILESO=C(NCCOCCOCCCl)c1ccccc1
InChIInChI=1S/C13H18ClNO3/c14-6-8-17-10-11-18-9-7-15-13(16)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,16)
InChIKeyNKAKYMVVFIKWRT-UHFFFAOYSA-N
XLogP1.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 51.69
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'}

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Related Compounds

N-[2-[2-(methylamino)ethoxy]ethyl]benzamide
CID 166579726
N-[2-(2-azidoethoxy)ethyl]benzamide
CID 156666189
N-[2-(2-chloroethoxy)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 114297434
N-[2-[[N-[2-(2-butoxyethoxy)ethyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111693476
N-[2-(2-chloroethoxy)ethyl]quinoline-2-carboxamide
CID 114297702
4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide
CID 114297825
2-benzamidoethyl nitrate
CID 10536408
4-(chloromethyl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 61251180
N-[2-(2-chloroethoxy)ethyl]-4-phenylbutanamide
CID 113271747
N-[2-[2-[2-[[4-(benzylamino)-6-(2-phenylethylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23787472
N-[2-[2-(2-benzamidoethylamino)ethylamino]ethyl]benzamide
CID 86227273
N-[2-(2-chloroethoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 113271840

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide?
The IUPAC name of N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide (CID 126723293) is N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide.
What is the SMILES notation for N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide?
The canonical SMILES for N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide is O=C(NCCOCCOCCCl)c1ccccc1.
What is the InChIKey of N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide?
The InChIKey is NKAKYMVVFIKWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c14-6-8-17-10-11-18-9-7-15-13(16)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,15,16).
What are the key properties of N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide?
N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide has a molecular weight of 271.74 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-chloroethoxy)ethoxy]ethyl]benzamide is sourced from PubChem (CID 126723293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).