1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromeno[4,3-b]pyrrole-2-carboxamide

C20H13F3N2O3 — CID 6622018

IUPAC1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromeno[4,3-b]pyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(=O)oc3ccccc3c21
InChIInChI=1S/C20H13F3N2O3/c1-25-15(18(26)24-12-6-4-5-11(9-12)20(21,22)23)10-14-17(25)13-7-2-3-8-16(13)28-19(14)27/h2-10H,1H3,(H,24,26)
InChIKeyBHAVHROSPIFNPH-UHFFFAOYSA-N
MW386.33 g/mol
LogP4.56
Rot. Bonds2

About 1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromeno[4,3-b]pyrrole-2-carboxamide

1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromeno[4,3-b]pyrrole-2-carboxamide (PubChem CID 6622018) has the molecular formula C20H13F3N2O3 and a molecular weight of 386.33 g/mol. Its IUPAC name is 1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromeno[4,3-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromeno[4,3-b]pyrrole-2-carboxamide
PubChem CID6622018
Molecular FormulaC20H13F3N2O3
Molecular Weight386.33 g/mol
Exact Mass386.09
IUPAC Name1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromeno[4,3-b]pyrrole-2-carboxamide
SMILESCn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(=O)oc3ccccc3c21
InChIInChI=1S/C20H13F3N2O3/c1-25-15(18(26)24-12-6-4-5-11(9-12)20(21,22)23)10-14-17(25)13-7-2-3-8-16(13)28-19(14)27/h2-10H,1H3,(H,24,26)
InChIKeyBHAVHROSPIFNPH-UHFFFAOYSA-N
XLogP4.56
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromeno[4,3-b]pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromeno[4,3-b]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromeno[4,3-b]pyrrole-2-carboxamide (CID 6622018) is 1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromeno[4,3-b]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromeno[4,3-b]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromeno[4,3-b]pyrrole-2-carboxamide is Cn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c(=O)oc3ccccc3c21.
What is the InChIKey of 1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromeno[4,3-b]pyrrole-2-carboxamide?
The InChIKey is BHAVHROSPIFNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O3/c1-25-15(18(26)24-12-6-4-5-11(9-12)20(21,22)23)10-14-17(25)13-7-2-3-8-16(13)28-19(14)27/h2-10H,1H3,(H,24,26).
What are the key properties of 1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromeno[4,3-b]pyrrole-2-carboxamide?
1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromeno[4,3-b]pyrrole-2-carboxamide has a molecular weight of 386.33 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]chromeno[4,3-b]pyrrole-2-carboxamide is sourced from PubChem (CID 6622018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).