2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide

C13H18FN3O2 — CID 54870514

IUPAC2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide
SMILESCC(c1ccccc1F)N(C)C(=O)CNC(=O)CN
InChIInChI=1S/C13H18FN3O2/c1-9(10-5-3-4-6-11(10)14)17(2)13(19)8-16-12(18)7-15/h3-6,9H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyHLMVSILSDMWHKZ-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.42
Rot. Bonds5

About 2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide

2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide (PubChem CID 54870514) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide
PubChem CID54870514
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide
SMILESCC(c1ccccc1F)N(C)C(=O)CNC(=O)CN
InChIInChI=1S/C13H18FN3O2/c1-9(10-5-3-4-6-11(10)14)17(2)13(19)8-16-12(18)7-15/h3-6,9H,7-8,15H2,1-2H3,(H,16,18)
InChIKeyHLMVSILSDMWHKZ-UHFFFAOYSA-N
XLogP0.42
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 60939648
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide
CID 86925373
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200476
4-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylbenzamide
CID 60938948
2-amino-N-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]acetamide
CID 60847744
(4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide
CID 99804367
2-(1-aminocyclopentyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 64685885
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 94042605
2-amino-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylpentanamide
CID 54870454
N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 46590732
(2S)-2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 62985653
(2S)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N,3-dimethylpentanamide
CID 61172862

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide (CID 54870514) is 2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide is CC(c1ccccc1F)N(C)C(=O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide?
The InChIKey is HLMVSILSDMWHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-9(10-5-3-4-6-11(10)14)17(2)13(19)8-16-12(18)7-15/h3-6,9H,7-8,15H2,1-2H3,(H,16,18).
What are the key properties of 2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide?
2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide has a molecular weight of 267.30 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 54870514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).