N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide

C12H17FN2O — CID 63753722

IUPACN-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCCC(CN)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-2-11(8-14)15-12(16)7-9-3-5-10(13)6-4-9/h3-6,11H,2,7-8,14H2,1H3,(H,15,16)
InChIKeyMURKBHPQBKLWNI-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.22
Rot. Bonds5

About N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide

N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 63753722) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide
PubChem CID63753722
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCCC(CN)NC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-2-11(8-14)15-12(16)7-9-3-5-10(13)6-4-9/h3-6,11H,2,7-8,14H2,1H3,(H,15,16)
InChIKeyMURKBHPQBKLWNI-UHFFFAOYSA-N
XLogP1.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminobutan-2-yl)-2-(4-hydroxyphenyl)acetamide
CID 65193879
N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63754538
N-[(2S)-1-aminopropan-2-yl]-2-(4-fluorophenyl)acetamide;hydrochloride
CID 120506260
N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 113275009
N-(1-aminobutan-2-yl)-2-(3-bromophenyl)acetamide
CID 65193942
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-(1-aminopentan-2-yl)-2-phenylacetamide
CID 65191478
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 61120670
N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 106184175
N-[1-(4-fluorophenyl)butan-2-yl]acetamide
CID 167041823
N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 65194114
N-(4-amino-4-sulfanylidenebutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 55033721

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide (CID 63753722) is N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide is CCC(CN)NC(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is MURKBHPQBKLWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-2-11(8-14)15-12(16)7-9-3-5-10(13)6-4-9/h3-6,11H,2,7-8,14H2,1H3,(H,15,16).
What are the key properties of N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide?
N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 224.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 63753722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).