ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide

C13H20FNO — CID 166127802

IUPACethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
SMILESCC.CC(=O)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C11H14FNO.C2H6/c1-8(13-9(2)14)7-10-3-5-11(12)6-4-10;1-2/h3-6,8H,7H2,1-2H3,(H,13,14);1-2H3
InChIKeyPIJVZGGFWJAUTH-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.92
Rot. Bonds3

About ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide

ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide (PubChem CID 166127802) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Nameethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
PubChem CID166127802
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC Nameethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide
SMILESCC.CC(=O)NC(C)Cc1ccc(F)cc1
InChIInChI=1S/C11H14FNO.C2H6/c1-8(13-9(2)14)7-10-3-5-11(12)6-4-10;1-2/h3-6,8H,7H2,1-2H3,(H,13,14);1-2H3
InChIKeyPIJVZGGFWJAUTH-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
CID 78919872
2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3,3-dimethylbutanamide
CID 76981965
N-[1-[4-[2-[(4-fluorophenyl)methoxy]pyrimidin-5-yl]phenyl]propan-2-yl]acetamide
CID 66635511
N-[1-(4-fluorophenyl)butan-2-yl]acetamide
CID 167041823
(3S)-N-[(2S)-1-(4-fluorophenyl)propan-2-yl]-3,4-dimethylpentanamide
CID 95213981
(2S)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 63009308
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]-3-methylbutanamide
CID 79012581
2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]butanamide
CID 62994798
2-[1-(4-fluorophenyl)propan-2-ylcarbamoylamino]propanoic acid
CID 62997070
N-[(2R)-1-(4-fluorophenyl)-3-oxopropan-2-yl]acetamide
CID 87362710
ethane;formic acid;N-(1-phenylpropan-2-yl)acetamide
CID 177356857
N-[1-(4-fluorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 63010034

Frequently Asked Questions

What is the IUPAC name of ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide?
The IUPAC name of ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide (CID 166127802) is ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide.
What is the SMILES notation for ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide?
The canonical SMILES for ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide is CC.CC(=O)NC(C)Cc1ccc(F)cc1.
What is the InChIKey of ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide?
The InChIKey is PIJVZGGFWJAUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO.C2H6/c1-8(13-9(2)14)7-10-3-5-11(12)6-4-10;1-2/h3-6,8H,7H2,1-2H3,(H,13,14);1-2H3.
What are the key properties of ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide?
ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide has a molecular weight of 225.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[1-(4-fluorophenyl)propan-2-yl]acetamide is sourced from PubChem (CID 166127802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).