4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide

C19H21FN2O3 — CID 87018231

IUPAC4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
SMILESCCN(C(=O)COc1ccc(C(N)=O)cc1)C(C)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-3-22(13(2)14-4-8-16(20)9-5-14)18(23)12-25-17-10-6-15(7-11-17)19(21)24/h4-11,13H,3,12H2,1-2H3,(H2,21,24)
InChIKeyKPKCGXWJWRUOQI-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.91
Rot. Bonds7

About 4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide

4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide (PubChem CID 87018231) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
PubChem CID87018231
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide
SMILESCCN(C(=O)COc1ccc(C(N)=O)cc1)C(C)c1ccc(F)cc1
InChIInChI=1S/C19H21FN2O3/c1-3-22(13(2)14-4-8-16(20)9-5-14)18(23)12-25-17-10-6-15(7-11-17)19(21)24/h4-11,13H,3,12H2,1-2H3,(H2,21,24)
InChIKeyKPKCGXWJWRUOQI-UHFFFAOYSA-N
XLogP2.91
TPSA72.63 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 51139810
4-[4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]piperazin-1-yl]benzamide
CID 86969723
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115950073
4-[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 8566212
3-chloro-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 54875564
ethyl 4-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-4-oxobutanoate
CID 60795014
2-(4-benzoylphenoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 24683025
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-3-oxobutanamide
CID 54876478
N-ethyl-N-[1-(4-fluorophenyl)ethyl]-4-methylpentanamide
CID 78892655
2-(cyclopropylmethoxy)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 78892616
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877
N,N-diethyl-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 78760744

Frequently Asked Questions

What is the IUPAC name of 4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide?
The IUPAC name of 4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide (CID 87018231) is 4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide?
The canonical SMILES for 4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide is CCN(C(=O)COc1ccc(C(N)=O)cc1)C(C)c1ccc(F)cc1.
What is the InChIKey of 4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide?
The InChIKey is KPKCGXWJWRUOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-3-22(13(2)14-4-8-16(20)9-5-14)18(23)12-25-17-10-6-15(7-11-17)19(21)24/h4-11,13H,3,12H2,1-2H3,(H2,21,24).
What are the key properties of 4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide?
4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide has a molecular weight of 344.39 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 87018231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).