3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide

C14H21FN2O — CID 115154464

IUPAC3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
SMILESCC(N)CC(=O)NCC(C)(C)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-10(16)7-13(18)17-9-14(2,3)11-5-4-6-12(15)8-11/h4-6,8,10H,7,9,16H2,1-3H3,(H,17,18)
InChIKeyXDJULHAAUFGGNJ-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.96
Rot. Bonds5

About 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide

3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide (PubChem CID 115154464) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
PubChem CID115154464
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide
SMILESCC(N)CC(=O)NCC(C)(C)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O/c1-10(16)7-13(18)17-9-14(2,3)11-5-4-6-12(15)8-11/h4-6,8,10H,7,9,16H2,1-3H3,(H,17,18)
InChIKeyXDJULHAAUFGGNJ-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119951826
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-4-methylpentanamide;hydrochloride
CID 119796151
3-amino-N-[2-(3-methoxyphenyl)-2-methylpropyl]butanamide;hydrochloride
CID 120873398
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-(methylamino)acetamide
CID 115152192
[2-(3-fluorophenyl)-2-methylpropyl]urea
CID 115168840
2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-methoxypropanamide
CID 120990280
N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119796132
2-(4-aminophenyl)-N-[2-(3-fluorophenyl)-2-methylpropyl]acetamide
CID 119796104
(2S)-2-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]-3-phenylpropanamide
CID 119330600
N-[2-(3-fluorophenyl)-2-methylpropyl]carbamoyl bromide
CID 115194299
7-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]heptanamide
CID 119796098
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-hydroxy-2-methylpropanamide
CID 115179051

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide?
The IUPAC name of 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide (CID 115154464) is 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide is CC(N)CC(=O)NCC(C)(C)c1cccc(F)c1.
What is the InChIKey of 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide?
The InChIKey is XDJULHAAUFGGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-10(16)7-13(18)17-9-14(2,3)11-5-4-6-12(15)8-11/h4-6,8,10H,7,9,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide?
3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide has a molecular weight of 252.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3-fluorophenyl)-2-methylpropyl]butanamide is sourced from PubChem (CID 115154464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).