N-[1-(4-fluorophenyl)butan-2-yl]acetamide

C12H16FNO — CID 167041823

IUPACN-[1-(4-fluorophenyl)butan-2-yl]acetamide
SMILESCCC(Cc1ccc(F)cc1)NC(C)=O
InChIInChI=1S/C12H16FNO/c1-3-12(14-9(2)15)8-10-4-6-11(13)7-5-10/h4-7,12H,3,8H2,1-2H3,(H,14,15)
InChIKeyHVFREBGXISVUAT-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.28
Rot. Bonds4

About N-[1-(4-fluorophenyl)butan-2-yl]acetamide

N-[1-(4-fluorophenyl)butan-2-yl]acetamide (PubChem CID 167041823) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)butan-2-yl]acetamide
PubChem CID167041823
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-[1-(4-fluorophenyl)butan-2-yl]acetamide
SMILESCCC(Cc1ccc(F)cc1)NC(C)=O
InChIInChI=1S/C12H16FNO/c1-3-12(14-9(2)15)8-10-4-6-11(13)7-5-10/h4-7,12H,3,8H2,1-2H3,(H,14,15)
InChIKeyHVFREBGXISVUAT-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide
CID 96567688
N-[(2S)-1-(4-methylphenyl)butan-2-yl]acetamide
CID 96567687
N-(1-phenylbutan-2-yl)acetamide
CID 2826983
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
CID 166127802
N-[(2R)-1-(4-fluorophenyl)-3-oxopropan-2-yl]acetamide
CID 87362710
N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63753722
[1-acetamido-2-(4-fluorophenyl)ethoxy]-hydroxy-oxophosphanium
CID 175275365
4-(4-fluorophenyl)-3-(iodoamino)butanoic acid
CID 154929108
2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 62994798
3-bromo-4-(4-fluorophenyl)butan-2-one
CID 62395510
2-cyclopropyl-N-[1-(4-fluorophenyl)butan-2-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 154842797

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)butan-2-yl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)butan-2-yl]acetamide (CID 167041823) is N-[1-(4-fluorophenyl)butan-2-yl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)butan-2-yl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)butan-2-yl]acetamide is CCC(Cc1ccc(F)cc1)NC(C)=O.
What is the InChIKey of N-[1-(4-fluorophenyl)butan-2-yl]acetamide?
The InChIKey is HVFREBGXISVUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-12(14-9(2)15)8-10-4-6-11(13)7-5-10/h4-7,12H,3,8H2,1-2H3,(H,14,15).
What are the key properties of N-[1-(4-fluorophenyl)butan-2-yl]acetamide?
N-[1-(4-fluorophenyl)butan-2-yl]acetamide has a molecular weight of 209.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)butan-2-yl]acetamide is sourced from PubChem (CID 167041823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).