N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide

C14H21FN2O4 — CID 103176942

IUPACN-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
SMILESCOCCCOCCOCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H21FN2O4/c1-19-5-2-6-20-7-8-21-10-14(18)17-13-9-11(16)3-4-12(13)15/h3-4,9H,2,5-8,10,16H2,1H3,(H,17,18)
InChIKeyOVEOJQXKVJCCJP-UHFFFAOYSA-N
MW300.33 g/mol
LogP1.42
Rot. Bonds10

About N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide

N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide (PubChem CID 103176942) has the molecular formula C14H21FN2O4 and a molecular weight of 300.33 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
PubChem CID103176942
Molecular FormulaC14H21FN2O4
Molecular Weight300.33 g/mol
Exact Mass300.15
IUPAC NameN-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
SMILESCOCCCOCCOCC(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C14H21FN2O4/c1-19-5-2-6-20-7-8-21-10-14(18)17-13-9-11(16)3-4-12(13)15/h3-4,9H,2,5-8,10,16H2,1H3,(H,17,18)
InChIKeyOVEOJQXKVJCCJP-UHFFFAOYSA-N
XLogP1.42
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-fluorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401139
N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936528
N-(2-amino-4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176913
N-(4-amino-2-methylphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936104
N-(2-amino-5-chlorophenyl)-2-[3-(2-methoxyethoxy)propoxy]acetamide
CID 103401181
N-(5-amino-2-fluorophenyl)-3-(3-methoxypropylsulfonyl)propanamide
CID 63857581
N-(5-amino-2-fluorophenyl)-4-[3-methoxypropyl(methyl)amino]butanamide
CID 62984089
N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560278
N-(5-amino-2-methoxyphenyl)-2-pentoxyacetamide
CID 43275007
N-(5-amino-2-fluorophenyl)-2-phenylmethoxyacetamide
CID 16785782
N-(5-amino-2-methylphenyl)-2-pentoxyacetamide;hydrochloride
CID 120568568
N-(5-amino-2-fluorophenyl)-2-(4,4-dimethylcyclohexyl)oxyacetamide
CID 114340602

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide (CID 103176942) is N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide is COCCCOCCOCC(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide?
The InChIKey is OVEOJQXKVJCCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O4/c1-19-5-2-6-20-7-8-21-10-14(18)17-13-9-11(16)3-4-12(13)15/h3-4,9H,2,5-8,10,16H2,1H3,(H,17,18).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide?
N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide has a molecular weight of 300.33 g/mol, XLogP of 1.42, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide is sourced from PubChem (CID 103176942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).