4-bromo-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide

C19H21BrClFN2O — CID 18204814

IUPAC4-bromo-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(Br)cc1F)c1ccccc1Cl
InChIInChI=1S/C19H21BrClFN2O/c1-3-24(4-2)18(14-7-5-6-8-16(14)21)12-23-19(25)15-10-9-13(20)11-17(15)22/h5-11,18H,3-4,12H2,1-2H3,(H,23,25)
InChIKeyNQZOFNQYKQEMAM-UHFFFAOYSA-N
MW427.75 g/mol
LogP5.05
Rot. Bonds7

About 4-bromo-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide

4-bromo-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide (PubChem CID 18204814) has the molecular formula C19H21BrClFN2O and a molecular weight of 427.75 g/mol. Its IUPAC name is 4-bromo-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide
PubChem CID18204814
Molecular FormulaC19H21BrClFN2O
Molecular Weight427.75 g/mol
Exact Mass426.05
IUPAC Name4-bromo-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(Br)cc1F)c1ccccc1Cl
InChIInChI=1S/C19H21BrClFN2O/c1-3-24(4-2)18(14-7-5-6-8-16(14)21)12-23-19(25)15-10-9-13(20)11-17(15)22/h5-11,18H,3-4,12H2,1-2H3,(H,23,25)
InChIKeyNQZOFNQYKQEMAM-UHFFFAOYSA-N
XLogP5.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.75
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide (CID 18204814) is 4-bromo-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide is CCN(CC)C(CNC(=O)c1ccc(Br)cc1F)c1ccccc1Cl.
What is the InChIKey of 4-bromo-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide?
The InChIKey is NQZOFNQYKQEMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrClFN2O/c1-3-24(4-2)18(14-7-5-6-8-16(14)21)12-23-19(25)15-10-9-13(20)11-17(15)22/h5-11,18H,3-4,12H2,1-2H3,(H,23,25).
What are the key properties of 4-bromo-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide?
4-bromo-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide has a molecular weight of 427.75 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 18204814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).