3-phenylbenzamide;phosphoric acid

C13H14NO5P — CID 130454344

IUPAC3-phenylbenzamide;phosphoric acid
SMILESNC(=O)c1cccc(-c2ccccc2)c1.O=P(O)(O)O
InChIInChI=1S/C13H11NO.H3O4P/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-5(2,3)4/h1-9H,(H2,14,15);(H3,1,2,3,4)
InChIKeyJTVVUMZXAHBBFK-UHFFFAOYSA-N
MW295.23 g/mol
LogP1.52
Rot. Bonds2

About 3-phenylbenzamide;phosphoric acid

3-phenylbenzamide;phosphoric acid (PubChem CID 130454344) has the molecular formula C13H14NO5P and a molecular weight of 295.23 g/mol. Its IUPAC name is 3-phenylbenzamide;phosphoric acid.

Molecular Properties

Compound Name3-phenylbenzamide;phosphoric acid
PubChem CID130454344
Molecular FormulaC13H14NO5P
Molecular Weight295.23 g/mol
Exact Mass295.06
IUPAC Name3-phenylbenzamide;phosphoric acid
SMILESNC(=O)c1cccc(-c2ccccc2)c1.O=P(O)(O)O
InChIInChI=1S/C13H11NO.H3O4P/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-5(2,3)4/h1-9H,(H2,14,15);(H3,1,2,3,4)
InChIKeyJTVVUMZXAHBBFK-UHFFFAOYSA-N
XLogP1.52
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.23
LogP ≤ 51.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenylbenzamide;(3-phenylphenyl)methanamine;dihydrochloride
CID 154810020
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4-(3-carbamoylphenyl)benzoate
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3-(2-oxo-1H-pyridin-4-yl)benzamide
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3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
N-benzyl-3-(4-carbamoylphenyl)benzamide
CID 117092674
5-(3-carbamoylphenyl)-2-chlorobenzoic acid
CID 53226144
3-[3-(N-hydroxy-C-methylcarbonimidoyl)phenyl]benzamide
CID 173127804
3-carbamoylbenzoic acid
CID 3014284
3-[4-[2-(benzylamino)ethyl]phenyl]benzamide
CID 58276622
3-phenylbenzoic acid;4-phenylbenzoic acid
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3-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 167913473

Frequently Asked Questions

What is the IUPAC name of 3-phenylbenzamide;phosphoric acid?
The IUPAC name of 3-phenylbenzamide;phosphoric acid (CID 130454344) is 3-phenylbenzamide;phosphoric acid.
What is the SMILES notation for 3-phenylbenzamide;phosphoric acid?
The canonical SMILES for 3-phenylbenzamide;phosphoric acid is NC(=O)c1cccc(-c2ccccc2)c1.O=P(O)(O)O.
What is the InChIKey of 3-phenylbenzamide;phosphoric acid?
The InChIKey is JTVVUMZXAHBBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO.H3O4P/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-5(2,3)4/h1-9H,(H2,14,15);(H3,1,2,3,4).
What are the key properties of 3-phenylbenzamide;phosphoric acid?
3-phenylbenzamide;phosphoric acid has a molecular weight of 295.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylbenzamide;phosphoric acid is sourced from PubChem (CID 130454344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).