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

C12H17FN2O — CID 60939648

IUPACN-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-9(15(3)12(16)8-14-2)10-6-4-5-7-11(10)13/h4-7,9,14H,8H2,1-3H3
InChIKeyXMEPTMVXUIPBRR-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.56
Rot. Bonds4

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

N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide (PubChem CID 60939648) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
PubChem CID60939648
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide
SMILESCNCC(=O)N(C)C(C)c1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-9(15(3)12(16)8-14-2)10-6-4-5-7-11(10)13/h4-7,9,14H,8H2,1-3H3
InChIKeyXMEPTMVXUIPBRR-UHFFFAOYSA-N
XLogP1.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-[1-(2-fluorophenyl)ethyl-methylamino]-2-oxoethyl]acetamide
CID 54870514
N-[1-(2-fluorophenyl)ethyl]-4-hydroxy-N-methylpentanamide
CID 79200476
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-phenoxyacetamide
CID 86925373
N-[(1R)-1-(2-fluorophenyl)ethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 94042605
2-(1-aminocyclopentyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 64685885
(4S)-4-amino-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methyl-4-phenylbutanamide
CID 99804367
N-[1-(2-fluorophenyl)ethyl]-N-methylbut-2-enamide
CID 112725705
2-amino-N-[1-(2-fluorophenyl)ethyl]-N,4-dimethylpentanamide
CID 54870454
2-[1-(2-fluorophenyl)ethyl-methylamino]acetic acid
CID 62979540
N-[3-[1-(2-fluorophenyl)ethyl-methylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 46590732
(2R)-2-amino-N-[1-(2-fluorophenyl)ethyl]-N-methyl-4-methylsulfanylbutanamide
CID 104907700
(2S)-2-[[1-(2-fluorophenyl)ethyl-methylcarbamoyl]amino]-3-methylbutanoic acid
CID 62985653

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide (CID 60939648) is N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide is CNCC(=O)N(C)C(C)c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide?
The InChIKey is XMEPTMVXUIPBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9(15(3)12(16)8-14-2)10-6-4-5-7-11(10)13/h4-7,9,14H,8H2,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide?
N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide has a molecular weight of 224.28 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-N-methyl-2-(methylamino)acetamide is sourced from PubChem (CID 60939648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).