16-(phenylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid

C24H19NO3 — CID 2832414

IUPAC16-(phenylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
SMILESO=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)Nc1ccccc1
InChIInChI=1S/C24H19NO3/c26-23(25-14-8-2-1-3-9-14)21-19-15-10-4-6-12-17(15)20(22(21)24(27)28)18-13-7-5-11-16(18)19/h1-13,19-22H,(H,25,26)(H,27,28)
InChIKeyVXLNBLVSWQUHFN-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.23
Rot. Bonds3

About 16-(phenylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid

16-(phenylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid (PubChem CID 2832414) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is 16-(phenylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid.

Molecular Properties

Compound Name16-(phenylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
PubChem CID2832414
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name16-(phenylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
SMILESO=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)Nc1ccccc1
InChIInChI=1S/C24H19NO3/c26-23(25-14-8-2-1-3-9-14)21-19-15-10-4-6-12-17(15)20(22(21)24(27)28)18-13-7-5-11-16(18)19/h1-13,19-22H,(H,25,26)(H,27,28)
InChIKeyVXLNBLVSWQUHFN-UHFFFAOYSA-N
XLogP4.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 16-(phenylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
The IUPAC name of 16-(phenylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid (CID 2832414) is 16-(phenylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid.
What is the SMILES notation for 16-(phenylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
The canonical SMILES for 16-(phenylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid is O=C(O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)Nc1ccccc1.
What is the InChIKey of 16-(phenylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
The InChIKey is VXLNBLVSWQUHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c26-23(25-14-8-2-1-3-9-14)21-19-15-10-4-6-12-17(15)20(22(21)24(27)28)18-13-7-5-11-16(18)19/h1-13,19-22H,(H,25,26)(H,27,28).
What are the key properties of 16-(phenylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid?
16-(phenylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid has a molecular weight of 369.42 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(phenylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid is sourced from PubChem (CID 2832414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).