N-(4-methyl-2-oxochromen-7-yl)-9H-fluorene-9-carboxamide

C24H17NO3 — CID 134150236

IUPACN-(4-methyl-2-oxochromen-7-yl)-9H-fluorene-9-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)C3c4ccccc4-c4ccccc43)ccc12
InChIInChI=1S/C24H17NO3/c1-14-12-22(26)28-21-13-15(10-11-16(14)21)25-24(27)23-19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-13,23H,1H3,(H,25,27)
InChIKeyIYZUKSFHQLLEES-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.85
Rot. Bonds2

About N-(4-methyl-2-oxochromen-7-yl)-9H-fluorene-9-carboxamide

N-(4-methyl-2-oxochromen-7-yl)-9H-fluorene-9-carboxamide (PubChem CID 134150236) has the molecular formula C24H17NO3 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-9H-fluorene-9-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-9H-fluorene-9-carboxamide
PubChem CID134150236
Molecular FormulaC24H17NO3
Molecular Weight367.40 g/mol
Exact Mass367.12
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-9H-fluorene-9-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)C3c4ccccc4-c4ccccc43)ccc12
InChIInChI=1S/C24H17NO3/c1-14-12-22(26)28-21-13-15(10-11-16(14)21)25-24(27)23-19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-13,23H,1H3,(H,25,27)
InChIKeyIYZUKSFHQLLEES-UHFFFAOYSA-N
XLogP4.85
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-9H-fluorene-9-carboxamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-9H-fluorene-9-carboxamide (CID 134150236) is N-(4-methyl-2-oxochromen-7-yl)-9H-fluorene-9-carboxamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-9H-fluorene-9-carboxamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-9H-fluorene-9-carboxamide is Cc1cc(=O)oc2cc(NC(=O)C3c4ccccc4-c4ccccc43)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-9H-fluorene-9-carboxamide?
The InChIKey is IYZUKSFHQLLEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17NO3/c1-14-12-22(26)28-21-13-15(10-11-16(14)21)25-24(27)23-19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-13,23H,1H3,(H,25,27).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-9H-fluorene-9-carboxamide?
N-(4-methyl-2-oxochromen-7-yl)-9H-fluorene-9-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-9H-fluorene-9-carboxamide is sourced from PubChem (CID 134150236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).