2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide

C12H17FN2O — CID 28565900

IUPAC2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
SMILESCC[C@H](C)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-3-9(2)14-8-12(16)15-11-6-4-10(13)5-7-11/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyYKGJOZHXOWPOFN-VIFPVBQESA-N
MW224.28 g/mol
LogP2.15
Rot. Bonds5

About 2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide

2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide (PubChem CID 28565900) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
PubChem CID28565900
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
SMILESCC[C@H](C)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O/c1-3-9(2)14-8-12(16)15-11-6-4-10(13)5-7-11/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyYKGJOZHXOWPOFN-VIFPVBQESA-N
XLogP2.15
TPSA41.13 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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 54954667
N-(4-fluorophenyl)-2-(1-methoxypropan-2-ylamino)acetamide
CID 43179600
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
N-(4-bromophenyl)-2-(butan-2-ylamino)acetamide
CID 43179384
2-(butan-2-ylamino)-N-[4-(carbamoylamino)phenyl]acetamide
CID 60852680
2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide
CID 54924903
2-(butan-2-ylamino)-N-(4-butylphenyl)acetamide
CID 54917864
N-(4-fluorophenyl)-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]acetamide
CID 79250136
2-(butan-2-ylamino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60661179
N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555
5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide
CID 60853756
2-(butan-2-ylamino)-N-[4-(ethylsulfamoyl)phenyl]acetamide
CID 60852490

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide (CID 28565900) is 2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide is CC[C@H](C)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide?
The InChIKey is YKGJOZHXOWPOFN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-9(2)14-8-12(16)15-11-6-4-10(13)5-7-11/h4-7,9,14H,3,8H2,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide?
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide has a molecular weight of 224.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 28565900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).