ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen

C15H18FNO — CID 143768800

IUPACethane;2-fluoro-4-phenylbenzamide;molecular hydrogen
SMILESCC.NC(=O)c1ccc(-c2ccccc2)cc1F.[H][H]
InChIInChI=1S/C13H10FNO.C2H6.H2/c14-12-8-10(6-7-11(12)13(15)16)9-4-2-1-3-5-9;1-2;/h1-8H,(H2,15,16);1-2H3;1H
InChIKeyMELOMOCABAGOHA-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.86
Rot. Bonds2

About ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen

ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen (PubChem CID 143768800) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-fluoro-4-phenylbenzamide;molecular hydrogen
PubChem CID143768800
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Nameethane;2-fluoro-4-phenylbenzamide;molecular hydrogen
SMILESCC.NC(=O)c1ccc(-c2ccccc2)cc1F.[H][H]
InChIInChI=1S/C13H10FNO.C2H6.H2/c14-12-8-10(6-7-11(12)13(15)16)9-4-2-1-3-5-9;1-2;/h1-8H,(H2,15,16);1-2H3;1H
InChIKeyMELOMOCABAGOHA-UHFFFAOYSA-N
XLogP3.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen?
The IUPAC name of ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen (CID 143768800) is ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen.
What is the SMILES notation for ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen?
The canonical SMILES for ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen is CC.NC(=O)c1ccc(-c2ccccc2)cc1F.[H][H].
What is the InChIKey of ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen?
The InChIKey is MELOMOCABAGOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO.C2H6.H2/c14-12-8-10(6-7-11(12)13(15)16)9-4-2-1-3-5-9;1-2;/h1-8H,(H2,15,16);1-2H3;1H.
What are the key properties of ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen?
ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen has a molecular weight of 247.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-4-phenylbenzamide;molecular hydrogen is sourced from PubChem (CID 143768800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).