N-(9H-fluoren-2-yl)-3,4,5-trimethoxybenzamide

C23H21NO4 — CID 1273134

IUPACN-(9H-fluoren-2-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc(OC)c1OC
InChIInChI=1S/C23H21NO4/c1-26-20-12-16(13-21(27-2)22(20)28-3)23(25)24-17-8-9-19-15(11-17)10-14-6-4-5-7-18(14)19/h4-9,11-13H,10H2,1-3H3,(H,24,25)
InChIKeyYFJXCVIHRUEJMI-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.54
Rot. Bonds5

About N-(9H-fluoren-2-yl)-3,4,5-trimethoxybenzamide

N-(9H-fluoren-2-yl)-3,4,5-trimethoxybenzamide (PubChem CID 1273134) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is N-(9H-fluoren-2-yl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(9H-fluoren-2-yl)-3,4,5-trimethoxybenzamide
PubChem CID1273134
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC NameN-(9H-fluoren-2-yl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc(OC)c1OC
InChIInChI=1S/C23H21NO4/c1-26-20-12-16(13-21(27-2)22(20)28-3)23(25)24-17-8-9-19-15(11-17)10-14-6-4-5-7-18(14)19/h4-9,11-13H,10H2,1-3H3,(H,24,25)
InChIKeyYFJXCVIHRUEJMI-UHFFFAOYSA-N
XLogP4.54
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(9H-fluoren-2-yl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(9H-fluoren-2-yl)-3,4,5-trimethoxybenzamide (CID 1273134) is N-(9H-fluoren-2-yl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(9H-fluoren-2-yl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(9H-fluoren-2-yl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc(OC)c1OC.
What is the InChIKey of N-(9H-fluoren-2-yl)-3,4,5-trimethoxybenzamide?
The InChIKey is YFJXCVIHRUEJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-26-20-12-16(13-21(27-2)22(20)28-3)23(25)24-17-8-9-19-15(11-17)10-14-6-4-5-7-18(14)19/h4-9,11-13H,10H2,1-3H3,(H,24,25).
What are the key properties of N-(9H-fluoren-2-yl)-3,4,5-trimethoxybenzamide?
N-(9H-fluoren-2-yl)-3,4,5-trimethoxybenzamide has a molecular weight of 375.42 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-fluoren-2-yl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1273134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).