N-[2-[(dimethylamino)methyl]phenyl]-9-oxofluorene-1-carboxamide

C23H20N2O2 — CID 11653320

IUPACN-[2-[(dimethylamino)methyl]phenyl]-9-oxofluorene-1-carboxamide
SMILESCN(C)Cc1ccccc1NC(=O)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C23H20N2O2/c1-25(2)14-15-8-3-6-13-20(15)24-23(27)19-12-7-11-17-16-9-4-5-10-18(16)22(26)21(17)19/h3-13H,14H2,1-2H3,(H,24,27)
InChIKeyBRGCQLJHZMYDHJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.21
Rot. Bonds4

About N-[2-[(dimethylamino)methyl]phenyl]-9-oxofluorene-1-carboxamide

N-[2-[(dimethylamino)methyl]phenyl]-9-oxofluorene-1-carboxamide (PubChem CID 11653320) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]phenyl]-9-oxofluorene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]phenyl]-9-oxofluorene-1-carboxamide
PubChem CID11653320
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC NameN-[2-[(dimethylamino)methyl]phenyl]-9-oxofluorene-1-carboxamide
SMILESCN(C)Cc1ccccc1NC(=O)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C23H20N2O2/c1-25(2)14-15-8-3-6-13-20(15)24-23(27)19-12-7-11-17-16-9-4-5-10-18(16)22(26)21(17)19/h3-13H,14H2,1-2H3,(H,24,27)
InChIKeyBRGCQLJHZMYDHJ-UHFFFAOYSA-N
XLogP4.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-9-oxofluorene-1-carboxamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]phenyl]-9-oxofluorene-1-carboxamide (CID 11653320) is N-[2-[(dimethylamino)methyl]phenyl]-9-oxofluorene-1-carboxamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]phenyl]-9-oxofluorene-1-carboxamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]phenyl]-9-oxofluorene-1-carboxamide is CN(C)Cc1ccccc1NC(=O)c1cccc2c1C(=O)c1ccccc1-2.
What is the InChIKey of N-[2-[(dimethylamino)methyl]phenyl]-9-oxofluorene-1-carboxamide?
The InChIKey is BRGCQLJHZMYDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O2/c1-25(2)14-15-8-3-6-13-20(15)24-23(27)19-12-7-11-17-16-9-4-5-10-18(16)22(26)21(17)19/h3-13H,14H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[(dimethylamino)methyl]phenyl]-9-oxofluorene-1-carboxamide?
N-[2-[(dimethylamino)methyl]phenyl]-9-oxofluorene-1-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]phenyl]-9-oxofluorene-1-carboxamide is sourced from PubChem (CID 11653320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).