2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-fluorobenzamide

C15H16ClFN2O2 — CID 4879644

IUPAC2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-fluorobenzamide
SMILESCN(C)C(CNC(=O)c1c(F)cccc1Cl)c1ccco1
InChIInChI=1S/C15H16ClFN2O2/c1-19(2)12(13-7-4-8-21-13)9-18-15(20)14-10(16)5-3-6-11(14)17/h3-8,12H,9H2,1-2H3,(H,18,20)
InChIKeyQELAGBPEBHEWLI-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.10
Rot. Bonds5

About 2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-fluorobenzamide

2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-fluorobenzamide (PubChem CID 4879644) has the molecular formula C15H16ClFN2O2 and a molecular weight of 310.76 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-fluorobenzamide
PubChem CID4879644
Molecular FormulaC15H16ClFN2O2
Molecular Weight310.76 g/mol
Exact Mass310.09
IUPAC Name2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-fluorobenzamide
SMILESCN(C)C(CNC(=O)c1c(F)cccc1Cl)c1ccco1
InChIInChI=1S/C15H16ClFN2O2/c1-19(2)12(13-7-4-8-21-13)9-18-15(20)14-10(16)5-3-6-11(14)17/h3-8,12H,9H2,1-2H3,(H,18,20)
InChIKeyQELAGBPEBHEWLI-UHFFFAOYSA-N
XLogP3.10
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-fluorobenzamide (CID 4879644) is 2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-fluorobenzamide is CN(C)C(CNC(=O)c1c(F)cccc1Cl)c1ccco1.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-fluorobenzamide?
The InChIKey is QELAGBPEBHEWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2/c1-19(2)12(13-7-4-8-21-13)9-18-15(20)14-10(16)5-3-6-11(14)17/h3-8,12H,9H2,1-2H3,(H,18,20).
What are the key properties of 2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-fluorobenzamide?
2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-fluorobenzamide has a molecular weight of 310.76 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 4879644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).