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

C14H21FN2O2 — CID 66231993

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

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

N-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide (PubChem CID 66231993) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
PubChem CID66231993
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
SMILESCC(C)(C)CCOCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C14H21FN2O2/c1-14(2,3)6-7-19-9-13(18)17-10-4-5-11(15)12(16)8-10/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,18)
InChIKeyWEKRBOLYRMWNIX-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-(3-amino-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995368
N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66231542
N-(2-amino-4-chlorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66234702
N-(3-amino-4-fluorophenyl)-3-(3,3,3-trifluoropropoxy)propanamide
CID 82955993
N-(3-amino-4-fluorophenyl)-3-[2-(2-methoxyethoxy)ethoxy]propanamide
CID 104560204
N-(3-amino-4-chlorophenyl)-3-(3,3-dimethylbutoxy)propanamide
CID 66234466
N-(3-amino-4-fluorophenyl)-2-(3,4-difluorophenoxy)acetamide
CID 43554704
N-(3-amino-4-fluorophenyl)-3,4,4-trimethylpentanamide
CID 63834446
N-(3-amino-4-fluorophenyl)-4-(2-methylbutan-2-yloxy)butanamide
CID 28995533
N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29036010
N-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide
CID 64728371
N-(3-amino-4-fluorophenyl)-3-hexoxypropanamide
CID 28995626

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide (CID 66231993) is N-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide is CC(C)(C)CCOCC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide?
The InChIKey is WEKRBOLYRMWNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-14(2,3)6-7-19-9-13(18)17-10-4-5-11(15)12(16)8-10/h4-5,8H,6-7,9,16H2,1-3H3,(H,17,18).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide?
N-(3-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-(3-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide is sourced from PubChem (CID 66231993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).