2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide

C10H13FN2O3 — CID 119320405

IUPAC2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(F)c(NC(=O)CN)cc1OC
InChIInChI=1S/C10H13FN2O3/c1-15-8-3-6(11)7(4-9(8)16-2)13-10(14)5-12/h3-4H,5,12H2,1-2H3,(H,13,14)
InChIKeyCELYEWBHEGNLLJ-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.74
Rot. Bonds4

About 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide

2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide (PubChem CID 119320405) has the molecular formula C10H13FN2O3 and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide
PubChem CID119320405
Molecular FormulaC10H13FN2O3
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(F)c(NC(=O)CN)cc1OC
InChIInChI=1S/C10H13FN2O3/c1-15-8-3-6(11)7(4-9(8)16-2)13-10(14)5-12/h3-4H,5,12H2,1-2H3,(H,13,14)
InChIKeyCELYEWBHEGNLLJ-UHFFFAOYSA-N
XLogP0.74
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2,5-difluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119340315
methyl 2-[(2-aminoacetyl)amino]-4,5-dimethoxybenzoate;hydrochloride
CID 119265007
7-amino-N-(2,5-difluoro-4-methoxyphenyl)heptanamide
CID 119812850
2-amino-N-(2,4-dibromo-5-methoxyphenyl)acetamide
CID 103413499
3-(2,5-difluorophenyl)-N-(2-fluoro-4,5-dimethoxyphenyl)propanamide
CID 56782937
2-amino-N-[4,5-dimethoxy-2-(phenylcarbamoylamino)phenyl]acetamide
CID 39184918
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
N-(2,5-difluoro-4-methoxyphenyl)-4-hydroxybutanamide
CID 115162824
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)-2-methylpentanamide
CID 119778135
5-[(2-aminoacetyl)amino]-2,4-difluorobenzamide
CID 43699282
3-[(2-fluoro-4,5-dimethoxyphenyl)carbamoylamino]propanoic acid
CID 122079674
1-amino-N-(2-fluoro-4,5-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 119320413

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide (CID 119320405) is 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide is COc1cc(F)c(NC(=O)CN)cc1OC.
What is the InChIKey of 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide?
The InChIKey is CELYEWBHEGNLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O3/c1-15-8-3-6(11)7(4-9(8)16-2)13-10(14)5-12/h3-4H,5,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide?
2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide has a molecular weight of 228.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-fluoro-4,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 119320405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).