N-[3-(2-chloro-4-cyclopropylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide

C25H17ClF4N2O2 — CID 166822624

IUPACN-[3-(2-chloro-4-cyclopropylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2c1C(c1ccc(C3CC3)cc1Cl)NC2=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H17ClF4N2O2/c26-19-10-13(12-4-5-12)6-7-17(19)22-21-18(24(34)32-22)2-1-3-20(21)31-23(33)14-8-15(25(28,29)30)11-16(27)9-14/h1-3,6-12,22H,4-5H2,(H,31,33)(H,32,34)
InChIKeyJFQQLYROWHCIQZ-UHFFFAOYSA-N
MW488.87 g/mol
LogP6.46
Rot. Bonds4

About N-[3-(2-chloro-4-cyclopropylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide

N-[3-(2-chloro-4-cyclopropylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 166822624) has the molecular formula C25H17ClF4N2O2 and a molecular weight of 488.87 g/mol. Its IUPAC name is N-[3-(2-chloro-4-cyclopropylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-chloro-4-cyclopropylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID166822624
Molecular FormulaC25H17ClF4N2O2
Molecular Weight488.87 g/mol
Exact Mass488.09
IUPAC NameN-[3-(2-chloro-4-cyclopropylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc2c1C(c1ccc(C3CC3)cc1Cl)NC2=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C25H17ClF4N2O2/c26-19-10-13(12-4-5-12)6-7-17(19)22-21-18(24(34)32-22)2-1-3-20(21)31-23(33)14-8-15(25(28,29)30)11-16(27)9-14/h1-3,6-12,22H,4-5H2,(H,31,33)(H,32,34)
InChIKeyJFQQLYROWHCIQZ-UHFFFAOYSA-N
XLogP6.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.87
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-(2-chloro-4-cyclopropylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide 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 N-[3-(2-chloro-4-cyclopropylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(2-chloro-4-cyclopropylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide (CID 166822624) is N-[3-(2-chloro-4-cyclopropylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(2-chloro-4-cyclopropylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(2-chloro-4-cyclopropylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide is O=C(Nc1cccc2c1C(c1ccc(C3CC3)cc1Cl)NC2=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(2-chloro-4-cyclopropylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is JFQQLYROWHCIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClF4N2O2/c26-19-10-13(12-4-5-12)6-7-17(19)22-21-18(24(34)32-22)2-1-3-20(21)31-23(33)14-8-15(25(28,29)30)11-16(27)9-14/h1-3,6-12,22H,4-5H2,(H,31,33)(H,32,34).
What are the key properties of N-[3-(2-chloro-4-cyclopropylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide?
N-[3-(2-chloro-4-cyclopropylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 488.87 g/mol, XLogP of 6.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-4-cyclopropylphenyl)-1-oxo-2,3-dihydroisoindol-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 166822624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).