4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide

C13H19FN2O — CID 81087068

IUPAC4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide
SMILESCCN(C(=O)CC(C)CN)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-3-16(13(17)8-10(2)9-15)12-7-5-4-6-11(12)14/h4-7,10H,3,8-9,15H2,1-2H3
InChIKeyFMJUGQOWIMLBHG-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.16
Rot. Bonds5

About 4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide

4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide (PubChem CID 81087068) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide
PubChem CID81087068
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide
SMILESCCN(C(=O)CC(C)CN)c1ccccc1F
InChIInChI=1S/C13H19FN2O/c1-3-16(13(17)8-10(2)9-15)12-7-5-4-6-11(12)14/h4-7,10H,3,8-9,15H2,1-2H3
InChIKeyFMJUGQOWIMLBHG-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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3-amino-N-ethyl-N-(2-fluorophenyl)-2-phenylpropanamide
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ethyl-(2-fluorophenyl)carbamic acid
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4-amino-N-[(2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 81070310
2-[2-fluoro-N-(3-methylbutanoyl)anilino]acetic acid
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3-[ethyl-[ethyl-(2-fluorophenyl)carbamoyl]amino]butanoic acid
CID 62827357
2-(tert-butylamino)-N-ethyl-N-(2-fluorophenyl)acetamide
CID 112727460
4-amino-1-(2-fluorophenyl)-3-methylbutan-1-one
CID 116596540
5-(N-ethyl-2-fluoroanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 62934429
4-amino-N-ethyl-3-methoxy-N-(2-methylphenyl)butanamide
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CID 116596554

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide?
The IUPAC name of 4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide (CID 81087068) is 4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for 4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide is CCN(C(=O)CC(C)CN)c1ccccc1F.
What is the InChIKey of 4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide?
The InChIKey is FMJUGQOWIMLBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-16(13(17)8-10(2)9-15)12-7-5-4-6-11(12)14/h4-7,10H,3,8-9,15H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide?
4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide has a molecular weight of 238.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-(2-fluorophenyl)-3-methylbutanamide is sourced from PubChem (CID 81087068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).