N-(3-fluoro-4-methylphenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide

C20H15FN2O3 — CID 6622041

IUPACN-(3-fluoro-4-methylphenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(=O)oc4ccccc4c3n2C)cc1F
InChIInChI=1S/C20H15FN2O3/c1-11-7-8-12(9-15(11)21)22-19(24)16-10-14-18(23(16)2)13-5-3-4-6-17(13)26-20(14)25/h3-10H,1-2H3,(H,22,24)
InChIKeyOVOKXVDYQMCILL-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.98
Rot. Bonds2

About N-(3-fluoro-4-methylphenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide

N-(3-fluoro-4-methylphenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide (PubChem CID 6622041) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
PubChem CID6622041
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc3c(=O)oc4ccccc4c3n2C)cc1F
InChIInChI=1S/C20H15FN2O3/c1-11-7-8-12(9-15(11)21)22-19(24)16-10-14-18(23(16)2)13-5-3-4-6-17(13)26-20(14)25/h3-10H,1-2H3,(H,22,24)
InChIKeyOVOKXVDYQMCILL-UHFFFAOYSA-N
XLogP3.98
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(3-fluoro-4-methylphenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide (CID 6622041) is N-(3-fluoro-4-methylphenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide is Cc1ccc(NC(=O)c2cc3c(=O)oc4ccccc4c3n2C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The InChIKey is OVOKXVDYQMCILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/c1-11-7-8-12(9-15(11)21)22-19(24)16-10-14-18(23(16)2)13-5-3-4-6-17(13)26-20(14)25/h3-10H,1-2H3,(H,22,24).
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
N-(3-fluoro-4-methylphenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide is sourced from PubChem (CID 6622041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).