5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide

C11H12Cl2FNO2 — CID 114297427

IUPAC5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide
SMILESO=C(NCCOCCCl)c1cc(Cl)ccc1F
InChIInChI=1S/C11H12Cl2FNO2/c12-3-5-17-6-4-15-11(16)9-7-8(13)1-2-10(9)14/h1-2,7H,3-6H2,(H,15,16)
InChIKeyKQGITURKEAWANV-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.46
Rot. Bonds6

About 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide

5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide (PubChem CID 114297427) has the molecular formula C11H12Cl2FNO2 and a molecular weight of 280.13 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide
PubChem CID114297427
Molecular FormulaC11H12Cl2FNO2
Molecular Weight280.13 g/mol
Exact Mass279.02
IUPAC Name5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide
SMILESO=C(NCCOCCCl)c1cc(Cl)ccc1F
InChIInChI=1S/C11H12Cl2FNO2/c12-3-5-17-6-4-15-11(16)9-7-8(13)1-2-10(9)14/h1-2,7H,3-6H2,(H,15,16)
InChIKeyKQGITURKEAWANV-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloroethoxy)ethyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 114297513
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-methoxybenzamide
CID 114297830
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-nitrobenzamide
CID 114297884
5-chloro-N-[3-(2-chloroethoxy)propyl]-2-iodobenzamide
CID 114171392
N-[3-(2-chloroethoxy)propyl]-2,3,4-trifluorobenzamide
CID 114171307
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-fluorobenzamide
CID 60676397
5-chloro-2-fluoro-N-(3-iodopropyl)benzamide
CID 114504102
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-fluorobenzamide
CID 9081924
4-bromo-N-[2-(2-chloroethoxy)ethyl]-3-fluorobenzamide
CID 114297825
N-[2-(2-chloroethoxy)ethyl]-2-(3-chlorophenyl)acetamide
CID 114297493
N-[3-(2-chloroethoxy)propyl]-2-fluoro-4-hydroxybenzamide
CID 114171329
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide (CID 114297427) is 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide is O=C(NCCOCCCl)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide?
The InChIKey is KQGITURKEAWANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO2/c12-3-5-17-6-4-15-11(16)9-7-8(13)1-2-10(9)14/h1-2,7H,3-6H2,(H,15,16).
What are the key properties of 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide?
5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide has a molecular weight of 280.13 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-chloroethoxy)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 114297427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).