3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide

C22H15ClFNO3 — CID 17015460

IUPAC3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc2c(c1)CC(c1ccc(Cl)cc1)OC2=O
InChIInChI=1S/C22H15ClFNO3/c23-16-7-4-13(5-8-16)20-11-15-10-14(6-9-19(15)22(27)28-20)21(26)25-18-3-1-2-17(24)12-18/h1-10,12,20H,11H2,(H,25,26)
InChIKeyBXDLMJZERXKOGK-UHFFFAOYSA-N
MW395.82 g/mol
LogP5.19
Rot. Bonds3

About 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide

3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide (PubChem CID 17015460) has the molecular formula C22H15ClFNO3 and a molecular weight of 395.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
PubChem CID17015460
Molecular FormulaC22H15ClFNO3
Molecular Weight395.82 g/mol
Exact Mass395.07
IUPAC Name3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ccc2c(c1)CC(c1ccc(Cl)cc1)OC2=O
InChIInChI=1S/C22H15ClFNO3/c23-16-7-4-13(5-8-16)20-11-15-10-14(6-9-19(15)22(27)28-20)21(26)25-18-3-1-2-17(24)12-18/h1-10,12,20H,11H2,(H,25,26)
InChIKeyBXDLMJZERXKOGK-UHFFFAOYSA-N
XLogP5.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.82
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 42497282
(3S)-N-(4-chlorophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 7274281
3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 17015467
(3S)-3-(4-fluorophenyl)-N-(3-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 51660641
(3R)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 42497276
N-(4-fluorophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 4913378
(3S)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 42107405
N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 43845116
(3R)-N-(2-fluorophenyl)-3-(4-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 51860434
N-[3-(methylcarbamoyl)phenyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 18208642
N-(3-nitrophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 4906873
1-oxo-3-phenyl-N-(3-sulfamoylphenyl)-3,4-dihydroisochromene-6-carboxamide
CID 42920014

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide (CID 17015460) is 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide is O=C(Nc1cccc(F)c1)c1ccc2c(c1)CC(c1ccc(Cl)cc1)OC2=O.
What is the InChIKey of 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
The InChIKey is BXDLMJZERXKOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClFNO3/c23-16-7-4-13(5-8-16)20-11-15-10-14(6-9-19(15)22(27)28-20)21(26)25-18-3-1-2-17(24)12-18/h1-10,12,20H,11H2,(H,25,26).
What are the key properties of 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide has a molecular weight of 395.82 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 17015460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).