2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide

C10H13FN2O2 — CID 82126824

IUPAC2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(F)cc1CNC(=O)CN
InChIInChI=1S/C10H13FN2O2/c1-15-9-3-2-8(11)4-7(9)6-13-10(14)5-12/h2-4H,5-6,12H2,1H3,(H,13,14)
InChIKeyDLIPOPGFZFLEBE-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.41
Rot. Bonds4

About 2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide

2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide (PubChem CID 82126824) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
PubChem CID82126824
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(F)cc1CNC(=O)CN
InChIInChI=1S/C10H13FN2O2/c1-15-9-3-2-8(11)4-7(9)6-13-10(14)5-12/h2-4H,5-6,12H2,1H3,(H,13,14)
InChIKeyDLIPOPGFZFLEBE-UHFFFAOYSA-N
XLogP0.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-fluoro-2-methoxyphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780208
4-[(5-fluoro-2-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 94691306
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110780143
3-chloro-N-[(5-fluoro-2-methoxyphenyl)methyl]propanamide
CID 115162483
4-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpentanamide
CID 115157575
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
5-[(5-fluoro-2-methoxyphenyl)methylamino]-5-oxopentanoic acid
CID 94696058
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-oxopropanamide
CID 115175593
4-[(5-fluoro-2-methoxyphenyl)methylamino]-2-methyl-4-oxobutanoic acid
CID 115165071
2,2,2-trifluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 115190235
1-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115189779
1-(aminomethyl)-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 115182668

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide (CID 82126824) is 2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide is COc1ccc(F)cc1CNC(=O)CN.
What is the InChIKey of 2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide?
The InChIKey is DLIPOPGFZFLEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-15-9-3-2-8(11)4-7(9)6-13-10(14)5-12/h2-4H,5-6,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide?
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide has a molecular weight of 212.22 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 82126824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).