N-hydroxy-1-oxo-1-(4-phenoxyphenyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[2,1-f]azaphosphinine-7-carboxamide

C20H21N2O4P — CID 10110549

IUPACN-hydroxy-1-oxo-1-(4-phenoxyphenyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[2,1-f]azaphosphinine-7-carboxamide
SMILESO=C(NO)C1CCC2C=CCP(=O)(c3ccc(Oc4ccccc4)cc3)N21
InChIInChI=1S/C20H21N2O4P/c23-20(21-24)19-13-8-15-5-4-14-27(25,22(15)19)18-11-9-17(10-12-18)26-16-6-2-1-3-7-16/h1-7,9-12,15,19,24H,8,13-14H2,(H,21,23)
InChIKeyLJJRCXILDYQJJT-UHFFFAOYSA-N
MW384.37 g/mol
LogP3.29
Rot. Bonds4

About N-hydroxy-1-oxo-1-(4-phenoxyphenyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[2,1-f]azaphosphinine-7-carboxamide

N-hydroxy-1-oxo-1-(4-phenoxyphenyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[2,1-f]azaphosphinine-7-carboxamide (PubChem CID 10110549) has the molecular formula C20H21N2O4P and a molecular weight of 384.37 g/mol. Its IUPAC name is N-hydroxy-1-oxo-1-(4-phenoxyphenyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[2,1-f]azaphosphinine-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-oxo-1-(4-phenoxyphenyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[2,1-f]azaphosphinine-7-carboxamide
PubChem CID10110549
Molecular FormulaC20H21N2O4P
Molecular Weight384.37 g/mol
Exact Mass384.12
IUPAC NameN-hydroxy-1-oxo-1-(4-phenoxyphenyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[2,1-f]azaphosphinine-7-carboxamide
SMILESO=C(NO)C1CCC2C=CCP(=O)(c3ccc(Oc4ccccc4)cc3)N21
InChIInChI=1S/C20H21N2O4P/c23-20(21-24)19-13-8-15-5-4-14-27(25,22(15)19)18-11-9-17(10-12-18)26-16-6-2-1-3-7-16/h1-7,9-12,15,19,24H,8,13-14H2,(H,21,23)
InChIKeyLJJRCXILDYQJJT-UHFFFAOYSA-N
XLogP3.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-oxo-1-(4-phenoxyphenyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[2,1-f]azaphosphinine-7-carboxamide?
The IUPAC name of N-hydroxy-1-oxo-1-(4-phenoxyphenyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[2,1-f]azaphosphinine-7-carboxamide (CID 10110549) is N-hydroxy-1-oxo-1-(4-phenoxyphenyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[2,1-f]azaphosphinine-7-carboxamide.
What is the SMILES notation for N-hydroxy-1-oxo-1-(4-phenoxyphenyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[2,1-f]azaphosphinine-7-carboxamide?
The canonical SMILES for N-hydroxy-1-oxo-1-(4-phenoxyphenyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[2,1-f]azaphosphinine-7-carboxamide is O=C(NO)C1CCC2C=CCP(=O)(c3ccc(Oc4ccccc4)cc3)N21.
What is the InChIKey of N-hydroxy-1-oxo-1-(4-phenoxyphenyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[2,1-f]azaphosphinine-7-carboxamide?
The InChIKey is LJJRCXILDYQJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N2O4P/c23-20(21-24)19-13-8-15-5-4-14-27(25,22(15)19)18-11-9-17(10-12-18)26-16-6-2-1-3-7-16/h1-7,9-12,15,19,24H,8,13-14H2,(H,21,23).
What are the key properties of N-hydroxy-1-oxo-1-(4-phenoxyphenyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[2,1-f]azaphosphinine-7-carboxamide?
N-hydroxy-1-oxo-1-(4-phenoxyphenyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[2,1-f]azaphosphinine-7-carboxamide has a molecular weight of 384.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-oxo-1-(4-phenoxyphenyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[2,1-f]azaphosphinine-7-carboxamide is sourced from PubChem (CID 10110549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).