N-(2-methylphenyl)-9H-xanthene-9-carboxamide

C21H17NO2 — CID 742987

IUPACN-(2-methylphenyl)-9H-xanthene-9-carboxamide
SMILESCc1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H17NO2/c1-14-8-2-5-11-17(14)22-21(23)20-15-9-3-6-12-18(15)24-19-13-7-4-10-16(19)20/h2-13,20H,1H3,(H,22,23)
InChIKeyJKFAMTPOFUYCDT-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.87
Rot. Bonds2

About N-(2-methylphenyl)-9H-xanthene-9-carboxamide

N-(2-methylphenyl)-9H-xanthene-9-carboxamide (PubChem CID 742987) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-(2-methylphenyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-9H-xanthene-9-carboxamide
PubChem CID742987
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC NameN-(2-methylphenyl)-9H-xanthene-9-carboxamide
SMILESCc1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H17NO2/c1-14-8-2-5-11-17(14)22-21(23)20-15-9-3-6-12-18(15)24-19-13-7-4-10-16(19)20/h2-13,20H,1H3,(H,22,23)
InChIKeyJKFAMTPOFUYCDT-UHFFFAOYSA-N
XLogP4.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-methylphenyl)-9H-xanthene-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(2-methylphenyl)-9H-xanthene-9-carboxamide (CID 742987) is N-(2-methylphenyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-9H-xanthene-9-carboxamide is Cc1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(2-methylphenyl)-9H-xanthene-9-carboxamide?
The InChIKey is JKFAMTPOFUYCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-14-8-2-5-11-17(14)22-21(23)20-15-9-3-6-12-18(15)24-19-13-7-4-10-16(19)20/h2-13,20H,1H3,(H,22,23).
What are the key properties of N-(2-methylphenyl)-9H-xanthene-9-carboxamide?
N-(2-methylphenyl)-9H-xanthene-9-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 742987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).