2-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]acetamide

C13H19FN2O2 — CID 8559754

IUPAC2-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]acetamide
SMILESCOc1ccc(F)cc1CN(CC(N)=O)C(C)C
InChIInChI=1S/C13H19FN2O2/c1-9(2)16(8-13(15)17)7-10-6-11(14)4-5-12(10)18-3/h4-6,9H,7-8H2,1-3H3,(H2,15,17)
InChIKeyZDNNYZCYDNPACC-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.53
Rot. Bonds6

About 2-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]acetamide

2-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]acetamide (PubChem CID 8559754) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]acetamide
PubChem CID8559754
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name2-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]acetamide
SMILESCOc1ccc(F)cc1CN(CC(N)=O)C(C)C
InChIInChI=1S/C13H19FN2O2/c1-9(2)16(8-13(15)17)7-10-6-11(14)4-5-12(10)18-3/h4-6,9H,7-8H2,1-3H3,(H2,15,17)
InChIKeyZDNNYZCYDNPACC-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Safinamide
CID 131682
Priralfinamide
CID 5745207
Ambucetamide
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(2S,3S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10495476
2(1H)-Pyridinone, 5-ethyl-3-(((2-methoxyphenyl)methyl)amino)-6-methyl-
CID 454348
2(1H)-Pyridinone, 3-(((2-ethoxyphenyl)methyl)amino)-5-ethyl-6-methyl-
CID 454350
2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 4883663
N-(2-Methoxy-benzyl)-3-methyl-butyramide
CID 842661
N-[(2-methoxyphenyl)methyl]-2-methylpentanamide
CID 2890938
Propanamide, 2-[[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]amino]-
CID 11722448

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]acetamide (CID 8559754) is 2-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]acetamide is COc1ccc(F)cc1CN(CC(N)=O)C(C)C.
What is the InChIKey of 2-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]acetamide?
The InChIKey is ZDNNYZCYDNPACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(2)16(8-13(15)17)7-10-6-11(14)4-5-12(10)18-3/h4-6,9H,7-8H2,1-3H3,(H2,15,17).
What are the key properties of 2-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]acetamide?
2-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]acetamide has a molecular weight of 254.31 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methoxyphenyl)methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 8559754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).