N-benzyl-9H-xanthene-9-carboxamide

C21H17NO2 — CID 718110

IUPACN-benzyl-9H-xanthene-9-carboxamide
SMILESO=C(NCc1ccccc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H17NO2/c23-21(22-14-15-8-2-1-3-9-15)20-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)20/h1-13,20H,14H2,(H,22,23)
InChIKeyIIHXKBJYWQXVJQ-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.24
Rot. Bonds3

About N-benzyl-9H-xanthene-9-carboxamide

N-benzyl-9H-xanthene-9-carboxamide (PubChem CID 718110) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-benzyl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-benzyl-9H-xanthene-9-carboxamide
PubChem CID718110
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC NameN-benzyl-9H-xanthene-9-carboxamide
SMILESO=C(NCc1ccccc1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H17NO2/c23-21(22-14-15-8-2-1-3-9-15)20-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)20/h1-13,20H,14H2,(H,22,23)
InChIKeyIIHXKBJYWQXVJQ-UHFFFAOYSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-9H-xanthene-9-carboxamide?
The IUPAC name of N-benzyl-9H-xanthene-9-carboxamide (CID 718110) is N-benzyl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-benzyl-9H-xanthene-9-carboxamide?
The canonical SMILES for N-benzyl-9H-xanthene-9-carboxamide is O=C(NCc1ccccc1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-benzyl-9H-xanthene-9-carboxamide?
The InChIKey is IIHXKBJYWQXVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c23-21(22-14-15-8-2-1-3-9-15)20-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)20/h1-13,20H,14H2,(H,22,23).
What are the key properties of N-benzyl-9H-xanthene-9-carboxamide?
N-benzyl-9H-xanthene-9-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 718110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).