3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride

C26H26Cl2N2O — CID 154810020

IUPAC3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride
SMILESCl.Cl.NC(=O)c1cccc(-c2ccccc2)c1.NCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H11NO.C13H13N.2ClH/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10;14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12;;/h1-9H,(H2,14,15);1-9H,10,14H2;2*1H
InChIKeyNHWHQUBOLYQGEF-UHFFFAOYSA-N
MW453.41 g/mol
LogP6.11
Rot. Bonds4

About 3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride

3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride (PubChem CID 154810020) has the molecular formula C26H26Cl2N2O and a molecular weight of 453.41 g/mol. Its IUPAC name is 3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride.

Molecular Properties

Compound Name3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride
PubChem CID154810020
Molecular FormulaC26H26Cl2N2O
Molecular Weight453.41 g/mol
Exact Mass452.14
IUPAC Name3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride
SMILESCl.Cl.NC(=O)c1cccc(-c2ccccc2)c1.NCc1cccc(-c2ccccc2)c1
InChIInChI=1S/C13H11NO.C13H13N.2ClH/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10;14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12;;/h1-9H,(H2,14,15);1-9H,10,14H2;2*1H
InChIKeyNHWHQUBOLYQGEF-UHFFFAOYSA-N
XLogP6.11
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.41
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride?
The IUPAC name of 3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride (CID 154810020) is 3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride.
What is the SMILES notation for 3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride?
The canonical SMILES for 3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride is Cl.Cl.NC(=O)c1cccc(-c2ccccc2)c1.NCc1cccc(-c2ccccc2)c1.
What is the InChIKey of 3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride?
The InChIKey is NHWHQUBOLYQGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO.C13H13N.2ClH/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10;14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12;;/h1-9H,(H2,14,15);1-9H,10,14H2;2*1H.
What are the key properties of 3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride?
3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride has a molecular weight of 453.41 g/mol, XLogP of 6.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride is sourced from PubChem (CID 154810020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).