2-methyl-N-[7-(2-methylpropanoylamino)-9H-fluoren-2-yl]propanamide

C21H24N2O2 — CID 946069

IUPAC2-methyl-N-[7-(2-methylpropanoylamino)-9H-fluoren-2-yl]propanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)Cc1cc(NC(=O)C(C)C)ccc1-2
InChIInChI=1S/C21H24N2O2/c1-12(2)20(24)22-16-5-7-18-14(10-16)9-15-11-17(6-8-19(15)18)23-21(25)13(3)4/h5-8,10-13H,9H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyYAFKAARWKDBARX-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.45
Rot. Bonds4

About 2-methyl-N-[7-(2-methylpropanoylamino)-9H-fluoren-2-yl]propanamide

2-methyl-N-[7-(2-methylpropanoylamino)-9H-fluoren-2-yl]propanamide (PubChem CID 946069) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-methyl-N-[7-(2-methylpropanoylamino)-9H-fluoren-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[7-(2-methylpropanoylamino)-9H-fluoren-2-yl]propanamide
PubChem CID946069
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-methyl-N-[7-(2-methylpropanoylamino)-9H-fluoren-2-yl]propanamide
SMILESCC(C)C(=O)Nc1ccc2c(c1)Cc1cc(NC(=O)C(C)C)ccc1-2
InChIInChI=1S/C21H24N2O2/c1-12(2)20(24)22-16-5-7-18-14(10-16)9-15-11-17(6-8-19(15)18)23-21(25)13(3)4/h5-8,10-13H,9H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyYAFKAARWKDBARX-UHFFFAOYSA-N
XLogP4.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[7-(2-methylpropanoylamino)-9H-fluoren-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[7-(2-methylpropanoylamino)-9H-fluoren-2-yl]propanamide (CID 946069) is 2-methyl-N-[7-(2-methylpropanoylamino)-9H-fluoren-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[7-(2-methylpropanoylamino)-9H-fluoren-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[7-(2-methylpropanoylamino)-9H-fluoren-2-yl]propanamide is CC(C)C(=O)Nc1ccc2c(c1)Cc1cc(NC(=O)C(C)C)ccc1-2.
What is the InChIKey of 2-methyl-N-[7-(2-methylpropanoylamino)-9H-fluoren-2-yl]propanamide?
The InChIKey is YAFKAARWKDBARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-12(2)20(24)22-16-5-7-18-14(10-16)9-15-11-17(6-8-19(15)18)23-21(25)13(3)4/h5-8,10-13H,9H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 2-methyl-N-[7-(2-methylpropanoylamino)-9H-fluoren-2-yl]propanamide?
2-methyl-N-[7-(2-methylpropanoylamino)-9H-fluoren-2-yl]propanamide has a molecular weight of 336.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[7-(2-methylpropanoylamino)-9H-fluoren-2-yl]propanamide is sourced from PubChem (CID 946069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).