2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide

C12H17FN2O3 — CID 54968324

IUPAC2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ccc(F)cc1OC
InChIInChI=1S/C12H17FN2O3/c1-17-6-5-14-12(16)8-15-10-4-3-9(13)7-11(10)18-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyLSJDQGPNWMNGNV-UHFFFAOYSA-N
MW256.28 g/mol
LogP1.01
Rot. Bonds7

About 2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide

2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide (PubChem CID 54968324) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide
PubChem CID54968324
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNc1ccc(F)cc1OC
InChIInChI=1S/C12H17FN2O3/c1-17-6-5-14-12(16)8-15-10-4-3-9(13)7-11(10)18-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,16)
InChIKeyLSJDQGPNWMNGNV-UHFFFAOYSA-N
XLogP1.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chloro-2-fluoroanilino)-N-(2-methoxyethyl)acetamide
CID 60652867
N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide
CID 34082938
2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide
CID 34083092
2-[(4-fluoro-2-methoxyanilino)methyl]prop-2-enoic acid
CID 103245520
2-(2,4-difluoroanilino)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005391
2-(2-fluoro-3-methylanilino)-N-(2-methoxyethyl)acetamide
CID 114254580
2-[4-bromo-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 61487652
butyl 2-(4-fluoro-2-methoxyanilino)acetate
CID 54968572
2-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]-5-methylbenzoic acid
CID 113405618
2-(5-chloro-2-methylanilino)-N-(2-methoxyethyl)acetamide
CID 54819230
2-(3-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 39335252
2-[5-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(2-methoxyethylcarbamoyl)acetamide
CID 18271470

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide (CID 54968324) is 2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNc1ccc(F)cc1OC.
What is the InChIKey of 2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide?
The InChIKey is LSJDQGPNWMNGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-17-6-5-14-12(16)8-15-10-4-3-9(13)7-11(10)18-2/h3-4,7,15H,5-6,8H2,1-2H3,(H,14,16).
What are the key properties of 2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide?
2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide has a molecular weight of 256.28 g/mol, XLogP of 1.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 54968324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).