N-(2,5-dimethylphenyl)-9H-fluorene-1-carboxamide

C22H19NO — CID 46230719

IUPACN-(2,5-dimethylphenyl)-9H-fluorene-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/C22H19NO/c1-14-10-11-15(2)21(12-14)23-22(24)19-9-5-8-18-17-7-4-3-6-16(17)13-20(18)19/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeySLCJVKNKYGAUDT-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.13
Rot. Bonds2

About N-(2,5-dimethylphenyl)-9H-fluorene-1-carboxamide

N-(2,5-dimethylphenyl)-9H-fluorene-1-carboxamide (PubChem CID 46230719) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-9H-fluorene-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-9H-fluorene-1-carboxamide
PubChem CID46230719
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC NameN-(2,5-dimethylphenyl)-9H-fluorene-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2cccc3c2Cc2ccccc2-3)c1
InChIInChI=1S/C22H19NO/c1-14-10-11-15(2)21(12-14)23-22(24)19-9-5-8-18-17-7-4-3-6-16(17)13-20(18)19/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeySLCJVKNKYGAUDT-UHFFFAOYSA-N
XLogP5.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-9H-fluorene-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-9H-fluorene-1-carboxamide (CID 46230719) is N-(2,5-dimethylphenyl)-9H-fluorene-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-9H-fluorene-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-9H-fluorene-1-carboxamide is Cc1ccc(C)c(NC(=O)c2cccc3c2Cc2ccccc2-3)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-9H-fluorene-1-carboxamide?
The InChIKey is SLCJVKNKYGAUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-14-10-11-15(2)21(12-14)23-22(24)19-9-5-8-18-17-7-4-3-6-16(17)13-20(18)19/h3-12H,13H2,1-2H3,(H,23,24).
What are the key properties of N-(2,5-dimethylphenyl)-9H-fluorene-1-carboxamide?
N-(2,5-dimethylphenyl)-9H-fluorene-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 5.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-9H-fluorene-1-carboxamide is sourced from PubChem (CID 46230719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).