2-chloro-N-[5-[2-chloro-5-(2-hydroxyethylcarbamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-6-fluoro-N-methylbenzamide

C24H19Cl2F4N3O4 — CID 72721695

IUPAC2-chloro-N-[5-[2-chloro-5-(2-hydroxyethylcarbamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-6-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1c(F)cccc1Cl)c1ncc(-c2cc(C(=O)NCCO)ccc2Cl)cc1OCC(F)(F)F
InChIInChI=1S/C24H19Cl2F4N3O4/c1-33(23(36)20-17(26)3-2-4-18(20)27)21-19(37-12-24(28,29)30)10-14(11-32-21)15-9-13(5-6-16(15)25)22(35)31-7-8-34/h2-6,9-11,34H,7-8,12H2,1H3,(H,31,35)
InChIKeyOOKBPOWTHYQIIZ-UHFFFAOYSA-N
MW560.33 g/mol
LogP5.13
Rot. Bonds8

About 2-chloro-N-[5-[2-chloro-5-(2-hydroxyethylcarbamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-6-fluoro-N-methylbenzamide

2-chloro-N-[5-[2-chloro-5-(2-hydroxyethylcarbamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-6-fluoro-N-methylbenzamide (PubChem CID 72721695) has the molecular formula C24H19Cl2F4N3O4 and a molecular weight of 560.33 g/mol. Its IUPAC name is 2-chloro-N-[5-[2-chloro-5-(2-hydroxyethylcarbamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-6-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[5-[2-chloro-5-(2-hydroxyethylcarbamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-6-fluoro-N-methylbenzamide
PubChem CID72721695
Molecular FormulaC24H19Cl2F4N3O4
Molecular Weight560.33 g/mol
Exact Mass559.07
IUPAC Name2-chloro-N-[5-[2-chloro-5-(2-hydroxyethylcarbamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-6-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1c(F)cccc1Cl)c1ncc(-c2cc(C(=O)NCCO)ccc2Cl)cc1OCC(F)(F)F
InChIInChI=1S/C24H19Cl2F4N3O4/c1-33(23(36)20-17(26)3-2-4-18(20)27)21-19(37-12-24(28,29)30)10-14(11-32-21)15-9-13(5-6-16(15)25)22(35)31-7-8-34/h2-6,9-11,34H,7-8,12H2,1H3,(H,31,35)
InChIKeyOOKBPOWTHYQIIZ-UHFFFAOYSA-N
XLogP5.13
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.33
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[5-[2-chloro-5-(2-hydroxyethylcarbamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-6-fluoro-N-methylbenzamide 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 2-chloro-N-[5-[2-chloro-5-(2-hydroxyethylcarbamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-6-fluoro-N-methylbenzamide?
The IUPAC name of 2-chloro-N-[5-[2-chloro-5-(2-hydroxyethylcarbamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-6-fluoro-N-methylbenzamide (CID 72721695) is 2-chloro-N-[5-[2-chloro-5-(2-hydroxyethylcarbamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-6-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[5-[2-chloro-5-(2-hydroxyethylcarbamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-6-fluoro-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-[5-[2-chloro-5-(2-hydroxyethylcarbamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-6-fluoro-N-methylbenzamide is CN(C(=O)c1c(F)cccc1Cl)c1ncc(-c2cc(C(=O)NCCO)ccc2Cl)cc1OCC(F)(F)F.
What is the InChIKey of 2-chloro-N-[5-[2-chloro-5-(2-hydroxyethylcarbamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-6-fluoro-N-methylbenzamide?
The InChIKey is OOKBPOWTHYQIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2F4N3O4/c1-33(23(36)20-17(26)3-2-4-18(20)27)21-19(37-12-24(28,29)30)10-14(11-32-21)15-9-13(5-6-16(15)25)22(35)31-7-8-34/h2-6,9-11,34H,7-8,12H2,1H3,(H,31,35).
What are the key properties of 2-chloro-N-[5-[2-chloro-5-(2-hydroxyethylcarbamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-6-fluoro-N-methylbenzamide?
2-chloro-N-[5-[2-chloro-5-(2-hydroxyethylcarbamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-6-fluoro-N-methylbenzamide has a molecular weight of 560.33 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-[2-chloro-5-(2-hydroxyethylcarbamoyl)phenyl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-6-fluoro-N-methylbenzamide is sourced from PubChem (CID 72721695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).