4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide

C13H19FN2O — CID 115157287

IUPAC4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide
SMILESCN(C(=O)CC(C)(C)CN)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-13(2,9-15)8-12(17)16(3)11-7-5-4-6-10(11)14/h4-7H,8-9,15H2,1-3H3
InChIKeyWCYPPOYYGUKRRR-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.16
Rot. Bonds4

About 4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide

4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide (PubChem CID 115157287) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide
PubChem CID115157287
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide
SMILESCN(C(=O)CC(C)(C)CN)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-13(2,9-15)8-12(17)16(3)11-7-5-4-6-10(11)14/h4-7H,8-9,15H2,1-3H3
InChIKeyWCYPPOYYGUKRRR-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-amino-1-(2-fluorophenyl)-3,3-dimethylbutan-1-one
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5-(N-ethyl-2-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
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2-[(3-amino-2,2-dimethylpropyl)-methylamino]-6-fluorobenzamide
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N-(2-fluorophenyl)-N-methyl-2-(4-sulfanylphenyl)acetamide
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2-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylpropanamide
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3-amino-N-(2-fluorophenyl)-3-hydroxyimino-N,2,2-trimethylpropanamide
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4-amino-N,3,3-trimethyl-N-[(2-methylphenyl)methyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide?
The IUPAC name of 4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide (CID 115157287) is 4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide.
What is the SMILES notation for 4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide?
The canonical SMILES for 4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide is CN(C(=O)CC(C)(C)CN)c1ccccc1F.
What is the InChIKey of 4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide?
The InChIKey is WCYPPOYYGUKRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-13(2,9-15)8-12(17)16(3)11-7-5-4-6-10(11)14/h4-7H,8-9,15H2,1-3H3.
What are the key properties of 4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide?
4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide has a molecular weight of 238.31 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-fluorophenyl)-N,3,3-trimethylbutanamide is sourced from PubChem (CID 115157287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).