4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide

C18H19FN2O3 — CID 112778533

IUPAC4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide
SMILESCC(Oc1ccc(C(N)=O)cc1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c1-12(24-16-8-4-14(5-9-16)17(20)22)18(23)21-11-10-13-2-6-15(19)7-3-13/h2-9,12H,10-11H2,1H3,(H2,20,22)(H,21,23)
InChIKeyIWZZOMUQRATGQG-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.05
Rot. Bonds7

About 4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide

4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide (PubChem CID 112778533) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound Name4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide
PubChem CID112778533
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide
SMILESCC(Oc1ccc(C(N)=O)cc1)C(=O)NCCc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O3/c1-12(24-16-8-4-14(5-9-16)17(20)22)18(23)21-11-10-13-2-6-15(19)7-3-13/h2-9,12H,10-11H2,1H3,(H2,20,22)(H,21,23)
InChIKeyIWZZOMUQRATGQG-UHFFFAOYSA-N
XLogP2.05
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-bromophenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 9391636
N-[2-(4-fluorophenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 112778014
2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132654154
4-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]oxybenzamide
CID 7931427
methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
CID 24511118
2-(4-fluorophenoxy)-N-propylpropanamide
CID 21366860
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 133164196
4-[2-[2-(4-methylsulfanylphenoxy)propanoylamino]ethyl]benzoic acid
CID 119168846
N-[2-(4-fluorophenyl)ethyl]-2-(3-iodophenoxy)propanamide
CID 112786440
2-(4-fluorophenoxy)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 46654879
methyl 4-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]benzoate
CID 40881969
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide
CID 24511404

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of 4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide (CID 112778533) is 4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for 4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for 4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide is CC(Oc1ccc(C(N)=O)cc1)C(=O)NCCc1ccc(F)cc1.
What is the InChIKey of 4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is IWZZOMUQRATGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-12(24-16-8-4-14(5-9-16)17(20)22)18(23)21-11-10-13-2-6-15(19)7-3-13/h2-9,12H,10-11H2,1H3,(H2,20,22)(H,21,23).
What are the key properties of 4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide?
4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 330.36 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 112778533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).