4-(4-fluoroanilino)-1,3-dihydroisochromene-4-carboxamide

C16H15FN2O2 — CID 107149775

IUPAC4-(4-fluoroanilino)-1,3-dihydroisochromene-4-carboxamide
SMILESNC(=O)C1(Nc2ccc(F)cc2)COCc2ccccc21
InChIInChI=1S/C16H15FN2O2/c17-12-5-7-13(8-6-12)19-16(15(18)20)10-21-9-11-3-1-2-4-14(11)16/h1-8,19H,9-10H2,(H2,18,20)
InChIKeyHNEOFHMBNNVEMM-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.15
Rot. Bonds3

About 4-(4-fluoroanilino)-1,3-dihydroisochromene-4-carboxamide

4-(4-fluoroanilino)-1,3-dihydroisochromene-4-carboxamide (PubChem CID 107149775) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-1,3-dihydroisochromene-4-carboxamide.

Molecular Properties

Compound Name4-(4-fluoroanilino)-1,3-dihydroisochromene-4-carboxamide
PubChem CID107149775
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name4-(4-fluoroanilino)-1,3-dihydroisochromene-4-carboxamide
SMILESNC(=O)C1(Nc2ccc(F)cc2)COCc2ccccc21
InChIInChI=1S/C16H15FN2O2/c17-12-5-7-13(8-6-12)19-16(15(18)20)10-21-9-11-3-1-2-4-14(11)16/h1-8,19H,9-10H2,(H2,18,20)
InChIKeyHNEOFHMBNNVEMM-UHFFFAOYSA-N
XLogP2.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluoroanilino)-1,3-dihydroisochromene-4-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 4-(4-fluoroanilino)-1,3-dihydroisochromene-4-carboxamide?
The IUPAC name of 4-(4-fluoroanilino)-1,3-dihydroisochromene-4-carboxamide (CID 107149775) is 4-(4-fluoroanilino)-1,3-dihydroisochromene-4-carboxamide.
What is the SMILES notation for 4-(4-fluoroanilino)-1,3-dihydroisochromene-4-carboxamide?
The canonical SMILES for 4-(4-fluoroanilino)-1,3-dihydroisochromene-4-carboxamide is NC(=O)C1(Nc2ccc(F)cc2)COCc2ccccc21.
What is the InChIKey of 4-(4-fluoroanilino)-1,3-dihydroisochromene-4-carboxamide?
The InChIKey is HNEOFHMBNNVEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c17-12-5-7-13(8-6-12)19-16(15(18)20)10-21-9-11-3-1-2-4-14(11)16/h1-8,19H,9-10H2,(H2,18,20).
What are the key properties of 4-(4-fluoroanilino)-1,3-dihydroisochromene-4-carboxamide?
4-(4-fluoroanilino)-1,3-dihydroisochromene-4-carboxamide has a molecular weight of 286.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-1,3-dihydroisochromene-4-carboxamide is sourced from PubChem (CID 107149775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).