1,1'-biphenyl;propanamide

C15H17NO — CID 155213147

IUPAC1,1'-biphenyl;propanamide
SMILESCCC(N)=O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C3H7NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3(4)5/h1-10H;2H2,1H3,(H2,4,5)
InChIKeyGPXFBKWEAXPHJL-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.24
Rot. Bonds2

About 1,1'-biphenyl;propanamide

1,1'-biphenyl;propanamide (PubChem CID 155213147) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1,1'-biphenyl;propanamide.

Molecular Properties

Compound Name1,1'-biphenyl;propanamide
PubChem CID155213147
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1,1'-biphenyl;propanamide
SMILESCCC(N)=O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C3H7NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3(4)5/h1-10H;2H2,1H3,(H2,4,5)
InChIKeyGPXFBKWEAXPHJL-UHFFFAOYSA-N
XLogP3.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 174302760
1,1'-biphenyl;propanoyl bromide
CID 175328868
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CID 159387798
1,1'-biphenyl;methanol;propane
CID 91033003
nitrobenzene;propanamide
CID 91549320
2-aminoacetic acid;1,1'-biphenyl
CID 22134128
acetic acid;1,1'-biphenyl;ethane
CID 91464981
acetic acid;1,1'-biphenyl;zinc
CID 70522083
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256
N'-(4-phenylphenyl)propanimidamide
CID 63178783
ethyl acetate;1-methyl-4-phenylbenzene
CID 54016895

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;propanamide?
The IUPAC name of 1,1'-biphenyl;propanamide (CID 155213147) is 1,1'-biphenyl;propanamide.
What is the SMILES notation for 1,1'-biphenyl;propanamide?
The canonical SMILES for 1,1'-biphenyl;propanamide is CCC(N)=O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;propanamide?
The InChIKey is GPXFBKWEAXPHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C3H7NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3(4)5/h1-10H;2H2,1H3,(H2,4,5).
What are the key properties of 1,1'-biphenyl;propanamide?
1,1'-biphenyl;propanamide has a molecular weight of 227.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;propanamide is sourced from PubChem (CID 155213147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).