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

C22H15Cl2NO3 — CID 42497282

IUPAC(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc2c(c1)C[C@H](c1ccc(Cl)cc1)OC2=O
InChIInChI=1S/C22H15Cl2NO3/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)/t20-/m1/s1
InChIKeyGORTXXGCRNJISE-HXUWFJFHSA-N
MW412.27 g/mol
LogP5.70
Rot. Bonds3

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

(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide (PubChem CID 42497282) has the molecular formula C22H15Cl2NO3 and a molecular weight of 412.27 g/mol. Its IUPAC name is (3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
PubChem CID42497282
Molecular FormulaC22H15Cl2NO3
Molecular Weight412.27 g/mol
Exact Mass411.04
IUPAC Name(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc2c(c1)C[C@H](c1ccc(Cl)cc1)OC2=O
InChIInChI=1S/C22H15Cl2NO3/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)/t20-/m1/s1
InChIKeyGORTXXGCRNJISE-HXUWFJFHSA-N
XLogP5.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.27
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-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

3-(4-chlorophenyl)-N-(3-fluorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 17015460
(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
(3R)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 42497276
(3R)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 42107404
(3S)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide
CID 42107405
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
(3R)-N-(4-hydroxyphenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 97315472
N-(4-fluorophenyl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 4913378
(3R)-N-(2,3-dihydro-1H-inden-5-yl)-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide
CID 8023393

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
The IUPAC name of (3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide (CID 42497282) is (3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide.
What is the SMILES notation for (3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
The canonical SMILES for (3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide is O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)C[C@H](c1ccc(Cl)cc1)OC2=O.
What is the InChIKey of (3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
The InChIKey is GORTXXGCRNJISE-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H15Cl2NO3/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)/t20-/m1/s1.
What are the key properties of (3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide?
(3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide has a molecular weight of 412.27 g/mol, XLogP of 5.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chlorophenyl)-3-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 42497282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).