[2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid

C14H11N2O4P — CID 122605278

IUPAC[2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid
SMILESN#Cc1ccc(NC(=O)c2ccccc2P(=O)(O)O)cc1
InChIInChI=1S/C14H11N2O4P/c15-9-10-5-7-11(8-6-10)16-14(17)12-3-1-2-4-13(12)21(18,19)20/h1-8H,(H,16,17)(H2,18,19,20)
InChIKeyFDQMLALRLJFEKF-UHFFFAOYSA-N
MW302.23 g/mol
LogP1.61
Rot. Bonds3

About [2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid

[2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid (PubChem CID 122605278) has the molecular formula C14H11N2O4P and a molecular weight of 302.23 g/mol. Its IUPAC name is [2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid.

Molecular Properties

Compound Name[2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid
PubChem CID122605278
Molecular FormulaC14H11N2O4P
Molecular Weight302.23 g/mol
Exact Mass302.05
IUPAC Name[2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid
SMILESN#Cc1ccc(NC(=O)c2ccccc2P(=O)(O)O)cc1
InChIInChI=1S/C14H11N2O4P/c15-9-10-5-7-11(8-6-10)16-14(17)12-3-1-2-4-13(12)21(18,19)20/h1-8H,(H,16,17)(H2,18,19,20)
InChIKeyFDQMLALRLJFEKF-UHFFFAOYSA-N
XLogP1.61
TPSA110.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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N-(4-cyanophenyl)-3-fluoro-2-hydrazinylbenzamide
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N-(4-acetamidophenyl)-2-[(4-cyanophenyl)methylsulfanyl]benzamide
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2-amino-N-(4-cyanophenyl)-3-nitrobenzamide
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2-[(4-cyanophenyl)carbamoylamino]benzoic acid
CID 16792146
4-N-(2-cyanophenyl)-1-N-(4-cyanophenyl)benzene-1,4-dicarboxamide
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N-[4-[(4-cyanophenyl)diazenyl]phenyl]benzamide
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N-(4-cyanophenyl)-5-phenyl-1,3,4-oxadiazole-2-carboxamide
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N-(4-cyanophenyl)-2-hydroxy-5-methylbenzamide
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CID 108956949

Frequently Asked Questions

What is the IUPAC name of [2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid?
The IUPAC name of [2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid (CID 122605278) is [2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid.
What is the SMILES notation for [2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid?
The canonical SMILES for [2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid is N#Cc1ccc(NC(=O)c2ccccc2P(=O)(O)O)cc1.
What is the InChIKey of [2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid?
The InChIKey is FDQMLALRLJFEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N2O4P/c15-9-10-5-7-11(8-6-10)16-14(17)12-3-1-2-4-13(12)21(18,19)20/h1-8H,(H,16,17)(H2,18,19,20).
What are the key properties of [2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid?
[2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid has a molecular weight of 302.23 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-cyanophenyl)carbamoyl]phenyl]phosphonic acid is sourced from PubChem (CID 122605278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).