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

C19H13FN2O3 — CID 53004554

IUPACN-(2-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2F)cc2c(=O)oc3ccccc3c21
InChIInChI=1S/C19H13FN2O3/c1-22-15(18(23)21-14-8-4-3-7-13(14)20)10-12-17(22)11-6-2-5-9-16(11)25-19(12)24/h2-10H,1H3,(H,21,23)
InChIKeyDKAJGUGXCLIDFA-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.68
Rot. Bonds2

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

N-(2-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide (PubChem CID 53004554) has the molecular formula C19H13FN2O3 and a molecular weight of 336.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
PubChem CID53004554
Molecular FormulaC19H13FN2O3
Molecular Weight336.32 g/mol
Exact Mass336.09
IUPAC NameN-(2-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2F)cc2c(=O)oc3ccccc3c21
InChIInChI=1S/C19H13FN2O3/c1-22-15(18(23)21-14-8-4-3-7-13(14)20)10-12-17(22)11-6-2-5-9-16(11)25-19(12)24/h2-10H,1H3,(H,21,23)
InChIKeyDKAJGUGXCLIDFA-UHFFFAOYSA-N
XLogP3.68
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.68
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-(2-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide (CID 53004554) is N-(2-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide is Cn1c(C(=O)Nc2ccccc2F)cc2c(=O)oc3ccccc3c21.
What is the InChIKey of N-(2-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The InChIKey is DKAJGUGXCLIDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O3/c1-22-15(18(23)21-14-8-4-3-7-13(14)20)10-12-17(22)11-6-2-5-9-16(11)25-19(12)24/h2-10H,1H3,(H,21,23).
What are the key properties of N-(2-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
N-(2-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide has a molecular weight of 336.32 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide is sourced from PubChem (CID 53004554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).