4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide

C14H19FN2O2 — CID 122157402

IUPAC4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCc1ccc(C(=O)NC(C)C(=O)NCCF)cc1
InChIInChI=1S/C14H19FN2O2/c1-3-11-4-6-12(7-5-11)14(19)17-10(2)13(18)16-9-8-15/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYOFGTXDIQNNZLE-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.45
Rot. Bonds6

About 4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide

4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide (PubChem CID 122157402) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide
PubChem CID122157402
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide
SMILESCCc1ccc(C(=O)NC(C)C(=O)NCCF)cc1
InChIInChI=1S/C14H19FN2O2/c1-3-11-4-6-12(7-5-11)14(19)17-10(2)13(18)16-9-8-15/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYOFGTXDIQNNZLE-UHFFFAOYSA-N
XLogP1.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-1-oxopropan-2-yl)-4-ethylbenzamide
CID 134045614
methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate
CID 8733711
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(methoxymethyl)benzamide
CID 8751184
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9227810
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-hydroxybenzamide
CID 60709622
4-tert-butyl-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8750199
4-bromo-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 51464444
4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 61464238
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 119408578
4-bromo-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]-2-methylbenzamide
CID 122157400
methyl 4-[2-[2-[(4-tert-butylbenzoyl)amino]propanoylamino]ethyl]benzoate
CID 46449947

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide (CID 122157402) is 4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide is CCc1ccc(C(=O)NC(C)C(=O)NCCF)cc1.
What is the InChIKey of 4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide?
The InChIKey is YOFGTXDIQNNZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-3-11-4-6-12(7-5-11)14(19)17-10(2)13(18)16-9-8-15/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide?
4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide has a molecular weight of 266.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[1-(2-fluoroethylamino)-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 122157402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).