N-hydroxy-6-(4-phenylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide

C22H19NO3 — CID 163392711

IUPACN-hydroxy-6-(4-phenylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NO)C1CCc2cc(-c3ccc(-c4ccccc4)cc3)ccc2O1
InChIInChI=1S/C22H19NO3/c24-22(23-25)21-13-11-19-14-18(10-12-20(19)26-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-10,12,14,21,25H,11,13H2,(H,23,24)
InChIKeyCZESLCZOJAMTBE-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.22
Rot. Bonds3

About N-hydroxy-6-(4-phenylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide

N-hydroxy-6-(4-phenylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 163392711) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-hydroxy-6-(4-phenylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-(4-phenylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID163392711
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC NameN-hydroxy-6-(4-phenylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NO)C1CCc2cc(-c3ccc(-c4ccccc4)cc3)ccc2O1
InChIInChI=1S/C22H19NO3/c24-22(23-25)21-13-11-19-14-18(10-12-20(19)26-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-10,12,14,21,25H,11,13H2,(H,23,24)
InChIKeyCZESLCZOJAMTBE-UHFFFAOYSA-N
XLogP4.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-(4-phenylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-hydroxy-6-(4-phenylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide (CID 163392711) is N-hydroxy-6-(4-phenylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-(4-phenylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-hydroxy-6-(4-phenylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NO)C1CCc2cc(-c3ccc(-c4ccccc4)cc3)ccc2O1.
What is the InChIKey of N-hydroxy-6-(4-phenylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is CZESLCZOJAMTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c24-22(23-25)21-13-11-19-14-18(10-12-20(19)26-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-10,12,14,21,25H,11,13H2,(H,23,24).
What are the key properties of N-hydroxy-6-(4-phenylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide?
N-hydroxy-6-(4-phenylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(4-phenylphenyl)-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 163392711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).