N-(4-methylphenyl)-phenylboronamidic acid

C13H14BNO — CID 101259053

IUPACN-(4-methylphenyl)-phenylboronamidic acid
SMILESCc1ccc(NB(O)c2ccccc2)cc1
InChIInChI=1S/C13H14BNO/c1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12/h2-10,15-16H,1H3
InChIKeyHCSKMEMWANSCEP-UHFFFAOYSA-N
MW211.07 g/mol
LogP1.79
Rot. Bonds3

About N-(4-methylphenyl)-phenylboronamidic acid

N-(4-methylphenyl)-phenylboronamidic acid (PubChem CID 101259053) has the molecular formula C13H14BNO and a molecular weight of 211.07 g/mol. Its IUPAC name is N-(4-methylphenyl)-phenylboronamidic acid.

Molecular Properties

Compound NameN-(4-methylphenyl)-phenylboronamidic acid
PubChem CID101259053
Molecular FormulaC13H14BNO
Molecular Weight211.07 g/mol
Exact Mass211.12
IUPAC NameN-(4-methylphenyl)-phenylboronamidic acid
SMILESCc1ccc(NB(O)c2ccccc2)cc1
InChIInChI=1S/C13H14BNO/c1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12/h2-10,15-16H,1H3
InChIKeyHCSKMEMWANSCEP-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.07
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-methylphenyl)-phenylboronamidic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-methylphenyl)-phenylborinic acid
CID 143940886
4-methyl-N-(4-methylphenyl)aniline;naphthalene
CID 174486958
benzene;bis(1,4-xylene)
CID 159472747
4-methyl-N-phenylaniline;[4-(N-phenylanilino)phenyl]boronic acid;N-phenyl-4-[4-(N-phenylanilino)phenyl]aniline
CID 159104775
2-methyl-4-N-(4-methylphenyl)-6-N-phenylpyrimidine-4,6-diamine
CID 112876865
lead(2+);oxygen(2-);toluene
CID 88838577
radon;toluene;1,4-xylene
CID 174747246
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
N-diphenylboranylmethanamine
CID 4233319
ethane;phenylboronic acid
CID 54560949

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-phenylboronamidic acid?
The IUPAC name of N-(4-methylphenyl)-phenylboronamidic acid (CID 101259053) is N-(4-methylphenyl)-phenylboronamidic acid.
What is the SMILES notation for N-(4-methylphenyl)-phenylboronamidic acid?
The canonical SMILES for N-(4-methylphenyl)-phenylboronamidic acid is Cc1ccc(NB(O)c2ccccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-phenylboronamidic acid?
The InChIKey is HCSKMEMWANSCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BNO/c1-11-7-9-13(10-8-11)15-14(16)12-5-3-2-4-6-12/h2-10,15-16H,1H3.
What are the key properties of N-(4-methylphenyl)-phenylboronamidic acid?
N-(4-methylphenyl)-phenylboronamidic acid has a molecular weight of 211.07 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-phenylboronamidic acid is sourced from PubChem (CID 101259053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).