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

C20H15FN2O3 — CID 53004573

IUPACN-(2-fluorophenyl)-N,1-dimethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
SMILESCN(C(=O)c1cc2c(=O)oc3ccccc3c2n1C)c1ccccc1F
InChIInChI=1S/C20H15FN2O3/c1-22-16(19(24)23(2)15-9-5-4-8-14(15)21)11-13-18(22)12-7-3-6-10-17(12)26-20(13)25/h3-11H,1-2H3
InChIKeyPHMJNOPOKPYQLQ-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.70
Rot. Bonds2

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

N-(2-fluorophenyl)-N,1-dimethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide (PubChem CID 53004573) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-N,1-dimethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-N,1-dimethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
PubChem CID53004573
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC NameN-(2-fluorophenyl)-N,1-dimethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
SMILESCN(C(=O)c1cc2c(=O)oc3ccccc3c2n1C)c1ccccc1F
InChIInChI=1S/C20H15FN2O3/c1-22-16(19(24)23(2)15-9-5-4-8-14(15)21)11-13-18(22)12-7-3-6-10-17(12)26-20(13)25/h3-11H,1-2H3
InChIKeyPHMJNOPOKPYQLQ-UHFFFAOYSA-N
XLogP3.70
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
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)-N,1-dimethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-N,1-dimethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide (CID 53004573) is N-(2-fluorophenyl)-N,1-dimethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-N,1-dimethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-N,1-dimethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide is CN(C(=O)c1cc2c(=O)oc3ccccc3c2n1C)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-N,1-dimethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
The InChIKey is PHMJNOPOKPYQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/c1-22-16(19(24)23(2)15-9-5-4-8-14(15)21)11-13-18(22)12-7-3-6-10-17(12)26-20(13)25/h3-11H,1-2H3.
What are the key properties of N-(2-fluorophenyl)-N,1-dimethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide?
N-(2-fluorophenyl)-N,1-dimethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide has a molecular weight of 350.35 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-N,1-dimethyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide is sourced from PubChem (CID 53004573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).