N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide

C14H21FN2O2 — CID 66231542

IUPACN-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
SMILESCC(C)(C)CCOCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C14H21FN2O2/c1-14(2,3)6-7-19-9-13(18)17-12-5-4-10(15)8-11(12)16/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,18)
InChIKeyJSDPVJRXVGPFOG-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.80
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide

N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide (PubChem CID 66231542) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
PubChem CID66231542
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
SMILESCC(C)(C)CCOCC(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C14H21FN2O2/c1-14(2,3)6-7-19-9-13(18)17-12-5-4-10(15)8-11(12)16/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,18)
InChIKeyJSDPVJRXVGPFOG-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66234702
N-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66231993
N-(2-amino-4-fluorophenyl)-2-(2-methylbutan-2-yloxy)acetamide
CID 28995587
N-(2-amino-4-fluorophenyl)-2-(2,2-difluoroethoxy)acetamide
CID 82004220
N-(2-amino-5-fluorophenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560278
N-(2-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560276
N-(2-amino-4-fluorophenyl)-3-oxobutanamide
CID 110477415
N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide
CID 66232216
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
N-(2-amino-4-fluorophenyl)-4-methoxybutanamide
CID 16785231
N-(2-amino-4-fluorophenyl)-2-(2-methylphenoxy)acetamide
CID 16792862
N-(2-amino-4-fluorophenyl)-2-(3-fluorophenoxy)acetamide
CID 16796146

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide (CID 66231542) is N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide is CC(C)(C)CCOCC(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide?
The InChIKey is JSDPVJRXVGPFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-14(2,3)6-7-19-9-13(18)17-12-5-4-10(15)8-11(12)16/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,18).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide?
N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide has a molecular weight of 268.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide is sourced from PubChem (CID 66231542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).