2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide

C13H17FN2O2 — CID 103103060

IUPAC2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide
SMILESCCN(CC(N)=O)CC(=O)Cc1ccccc1F
InChIInChI=1S/C13H17FN2O2/c1-2-16(9-13(15)18)8-11(17)7-10-5-3-4-6-12(10)14/h3-6H,2,7-9H2,1H3,(H2,15,18)
InChIKeyBIMWLQVPVFFTDB-UHFFFAOYSA-N
MW252.29 g/mol
LogP0.74
Rot. Bonds7

About 2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide

2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide (PubChem CID 103103060) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide.

Molecular Properties

Compound Name2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide
PubChem CID103103060
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide
SMILESCCN(CC(N)=O)CC(=O)Cc1ccccc1F
InChIInChI=1S/C13H17FN2O2/c1-2-16(9-13(15)18)8-11(17)7-10-5-3-4-6-12(10)14/h3-6H,2,7-9H2,1H3,(H2,15,18)
InChIKeyBIMWLQVPVFFTDB-UHFFFAOYSA-N
XLogP0.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl-[2-(2-fluorophenyl)-2-oxoethyl]amino]acetamide
CID 103103098
1-[cyclopropyl(ethyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 43794948
2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 43461380
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503
1-(2-fluorophenyl)-3-[methyl(4-methylpentan-2-yl)amino]propan-2-one
CID 54999548
1-(2-fluorophenyl)-3-[methyl(pentyl)amino]propan-2-one
CID 43796057
1-[ethyl(1-methoxypropan-2-yl)amino]-3-(2-fluorophenyl)propan-2-one
CID 55010600
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
1-[benzyl(methyl)amino]-3-(2-fluorophenyl)propan-2-one
CID 62051935
N-ethyl-2-[[3-(2-fluorophenyl)-2-oxopropyl]-methylamino]acetamide
CID 62036688
1-(2-fluorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-2-one
CID 62036369
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 107113368

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide?
The IUPAC name of 2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide (CID 103103060) is 2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide.
What is the SMILES notation for 2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide?
The canonical SMILES for 2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide is CCN(CC(N)=O)CC(=O)Cc1ccccc1F.
What is the InChIKey of 2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide?
The InChIKey is BIMWLQVPVFFTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-2-16(9-13(15)18)8-11(17)7-10-5-3-4-6-12(10)14/h3-6H,2,7-9H2,1H3,(H2,15,18).
What are the key properties of 2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide?
2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide has a molecular weight of 252.29 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(2-fluorophenyl)-2-oxopropyl]amino]acetamide is sourced from PubChem (CID 103103060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).