(2-phenylphenyl)iminocarbamic acid

C13H10N2O2 — CID 70006602

IUPAC(2-phenylphenyl)iminocarbamic acid
SMILESO=C(O)/N=N/c1ccccc1-c1ccccc1
InChIInChI=1S/C13H10N2O2/c16-13(17)15-14-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,16,17)/b15-14+
InChIKeyJAORSBKDIPLMEL-CCEZHUSRSA-N
MW226.24 g/mol
LogP4.12
Rot. Bonds2

About (2-phenylphenyl)iminocarbamic acid

(2-phenylphenyl)iminocarbamic acid (PubChem CID 70006602) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is (2-phenylphenyl)iminocarbamic acid.

Molecular Properties

Compound Name(2-phenylphenyl)iminocarbamic acid
PubChem CID70006602
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name(2-phenylphenyl)iminocarbamic acid
SMILESO=C(O)/N=N/c1ccccc1-c1ccccc1
InChIInChI=1S/C13H10N2O2/c16-13(17)15-14-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,16,17)/b15-14+
InChIKeyJAORSBKDIPLMEL-CCEZHUSRSA-N
XLogP4.12
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-phenylphenyl)iminocarbamic acid?
The IUPAC name of (2-phenylphenyl)iminocarbamic acid (CID 70006602) is (2-phenylphenyl)iminocarbamic acid.
What is the SMILES notation for (2-phenylphenyl)iminocarbamic acid?
The canonical SMILES for (2-phenylphenyl)iminocarbamic acid is O=C(O)/N=N/c1ccccc1-c1ccccc1.
What is the InChIKey of (2-phenylphenyl)iminocarbamic acid?
The InChIKey is JAORSBKDIPLMEL-CCEZHUSRSA-N. The full InChI is InChI=1S/C13H10N2O2/c16-13(17)15-14-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,16,17)/b15-14+.
What are the key properties of (2-phenylphenyl)iminocarbamic acid?
(2-phenylphenyl)iminocarbamic acid has a molecular weight of 226.24 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylphenyl)iminocarbamic acid is sourced from PubChem (CID 70006602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).