[4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid

C20H18BNO3 — CID 127028475

IUPAC[4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(B(O)O)cc1
InChIInChI=1S/C20H18BNO3/c23-20(22-19-12-10-18(11-13-19)21(24)25)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13,24-25H,14H2,(H,22,23)
InChIKeyZMAGOGCRJOYAIY-UHFFFAOYSA-N
MW331.18 g/mol
LogP2.21
Rot. Bonds5

About [4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid

[4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid (PubChem CID 127028475) has the molecular formula C20H18BNO3 and a molecular weight of 331.18 g/mol. Its IUPAC name is [4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid
PubChem CID127028475
Molecular FormulaC20H18BNO3
Molecular Weight331.18 g/mol
Exact Mass331.14
IUPAC Name[4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(B(O)O)cc1
InChIInChI=1S/C20H18BNO3/c23-20(22-19-12-10-18(11-13-19)21(24)25)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13,24-25H,14H2,(H,22,23)
InChIKeyZMAGOGCRJOYAIY-UHFFFAOYSA-N
XLogP2.21
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.18
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxyphenyl)-2-(4-phenylphenyl)acetamide
CID 71422853
N-[4-(cyanomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 26374350
N-[4-(diethylaminomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 100516184
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423
2-amino-N-(4-phenylphenyl)acetamide
CID 43218250
4-[[2-(4-phenylphenyl)acetyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46803416
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-(4-phenylphenyl)acetamide
CID 100515533
N-(3-acetylphenyl)-2-(4-phenylphenyl)acetamide
CID 972684
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylphenyl)acetamide
CID 832236
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid?
The IUPAC name of [4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid (CID 127028475) is [4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid.
What is the SMILES notation for [4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid?
The canonical SMILES for [4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid is O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(B(O)O)cc1.
What is the InChIKey of [4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid?
The InChIKey is ZMAGOGCRJOYAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BNO3/c23-20(22-19-12-10-18(11-13-19)21(24)25)14-15-6-8-17(9-7-15)16-4-2-1-3-5-16/h1-13,24-25H,14H2,(H,22,23).
What are the key properties of [4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid?
[4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid has a molecular weight of 331.18 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid is sourced from PubChem (CID 127028475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).