N-(2-methylphenyl)-9-oxofluorene-1-carboxamide

C21H15NO2 — CID 4019848

IUPACN-(2-methylphenyl)-9-oxofluorene-1-carboxamide
SMILESCc1ccccc1NC(=O)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C21H15NO2/c1-13-7-2-5-12-18(13)22-21(24)17-11-6-10-15-14-8-3-4-9-16(14)20(23)19(15)17/h2-12H,1H3,(H,22,24)
InChIKeyBWCQXLZABXFTBE-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.46
Rot. Bonds2

About N-(2-methylphenyl)-9-oxofluorene-1-carboxamide

N-(2-methylphenyl)-9-oxofluorene-1-carboxamide (PubChem CID 4019848) has the molecular formula C21H15NO2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(2-methylphenyl)-9-oxofluorene-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-9-oxofluorene-1-carboxamide
PubChem CID4019848
Molecular FormulaC21H15NO2
Molecular Weight313.36 g/mol
Exact Mass313.11
IUPAC NameN-(2-methylphenyl)-9-oxofluorene-1-carboxamide
SMILESCc1ccccc1NC(=O)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C21H15NO2/c1-13-7-2-5-12-18(13)22-21(24)17-11-6-10-15-14-8-3-4-9-16(14)20(23)19(15)17/h2-12H,1H3,(H,22,24)
InChIKeyBWCQXLZABXFTBE-UHFFFAOYSA-N
XLogP4.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-9-oxofluorene-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-9-oxofluorene-1-carboxamide (CID 4019848) is N-(2-methylphenyl)-9-oxofluorene-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-9-oxofluorene-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-9-oxofluorene-1-carboxamide is Cc1ccccc1NC(=O)c1cccc2c1C(=O)c1ccccc1-2.
What is the InChIKey of N-(2-methylphenyl)-9-oxofluorene-1-carboxamide?
The InChIKey is BWCQXLZABXFTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2/c1-13-7-2-5-12-18(13)22-21(24)17-11-6-10-15-14-8-3-4-9-16(14)20(23)19(15)17/h2-12H,1H3,(H,22,24).
What are the key properties of N-(2-methylphenyl)-9-oxofluorene-1-carboxamide?
N-(2-methylphenyl)-9-oxofluorene-1-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-9-oxofluorene-1-carboxamide is sourced from PubChem (CID 4019848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).