N,N-diethyl-2-[2-(3-fluorophenoxy)propanoylamino]benzamide

C20H23FN2O3 — CID 86835519

IUPACN,N-diethyl-2-[2-(3-fluorophenoxy)propanoylamino]benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C20H23FN2O3/c1-4-23(5-2)20(25)17-11-6-7-12-18(17)22-19(24)14(3)26-16-10-8-9-15(21)13-16/h6-14H,4-5H2,1-3H3,(H,22,24)
InChIKeyFUCYZECQWYDGGF-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.71
Rot. Bonds7

About N,N-diethyl-2-[2-(3-fluorophenoxy)propanoylamino]benzamide

N,N-diethyl-2-[2-(3-fluorophenoxy)propanoylamino]benzamide (PubChem CID 86835519) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N,N-diethyl-2-[2-(3-fluorophenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-(3-fluorophenoxy)propanoylamino]benzamide
PubChem CID86835519
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN,N-diethyl-2-[2-(3-fluorophenoxy)propanoylamino]benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)C(C)Oc1cccc(F)c1
InChIInChI=1S/C20H23FN2O3/c1-4-23(5-2)20(25)17-11-6-7-12-18(17)22-19(24)14(3)26-16-10-8-9-15(21)13-16/h6-14H,4-5H2,1-3H3,(H,22,24)
InChIKeyFUCYZECQWYDGGF-UHFFFAOYSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86918484
2-(3-fluorophenoxy)-N-[2-(hydroxymethyl)phenyl]propanamide
CID 61497915
N-(3-amino-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
CID 16784463
N-(4-fluorophenyl)-2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
CID 7312062
N-ethyl-2-[2-(4-methoxyphenoxy)propanoylamino]-N-phenylbenzamide
CID 17186678
2-[2-(3-chlorophenoxy)propanoylamino]-N-propylbenzamide
CID 42906301
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
N-(5-acetamido-2-methylphenyl)-2-(3-fluorophenoxy)propanamide
CID 86986176
N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 78762135
2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 26076449
2-(3-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 60675242
N,N-diethyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 6458358

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-(3-fluorophenoxy)propanoylamino]benzamide?
The IUPAC name of N,N-diethyl-2-[2-(3-fluorophenoxy)propanoylamino]benzamide (CID 86835519) is N,N-diethyl-2-[2-(3-fluorophenoxy)propanoylamino]benzamide.
What is the SMILES notation for N,N-diethyl-2-[2-(3-fluorophenoxy)propanoylamino]benzamide?
The canonical SMILES for N,N-diethyl-2-[2-(3-fluorophenoxy)propanoylamino]benzamide is CCN(CC)C(=O)c1ccccc1NC(=O)C(C)Oc1cccc(F)c1.
What is the InChIKey of N,N-diethyl-2-[2-(3-fluorophenoxy)propanoylamino]benzamide?
The InChIKey is FUCYZECQWYDGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-4-23(5-2)20(25)17-11-6-7-12-18(17)22-19(24)14(3)26-16-10-8-9-15(21)13-16/h6-14H,4-5H2,1-3H3,(H,22,24).
What are the key properties of N,N-diethyl-2-[2-(3-fluorophenoxy)propanoylamino]benzamide?
N,N-diethyl-2-[2-(3-fluorophenoxy)propanoylamino]benzamide has a molecular weight of 358.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-(3-fluorophenoxy)propanoylamino]benzamide is sourced from PubChem (CID 86835519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).