N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide

C19H21FN2O3 — CID 2524725

IUPACN,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O3/c1-3-22(4-2)19(24)14-9-11-15(12-10-14)21-18(23)13-25-17-8-6-5-7-16(17)20/h5-12H,3-4,13H2,1-2H3,(H,21,23)
InChIKeyASQNSOVYMSSMNP-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.33
Rot. Bonds7

About N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide

N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide (PubChem CID 2524725) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
PubChem CID2524725
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC NameN,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O3/c1-3-22(4-2)19(24)14-9-11-15(12-10-14)21-18(23)13-25-17-8-6-5-7-16(17)20/h5-12H,3-4,13H2,1-2H3,(H,21,23)
InChIKeyASQNSOVYMSSMNP-UHFFFAOYSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide?
The IUPAC name of N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide (CID 2524725) is N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide is CCN(CC)C(=O)c1ccc(NC(=O)COc2ccccc2F)cc1.
What is the InChIKey of N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide?
The InChIKey is ASQNSOVYMSSMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-3-22(4-2)19(24)14-9-11-15(12-10-14)21-18(23)13-25-17-8-6-5-7-16(17)20/h5-12H,3-4,13H2,1-2H3,(H,21,23).
What are the key properties of N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide?
N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide has a molecular weight of 344.39 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[2-(2-fluorophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 2524725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).