N-[4-(5-carbamoyl-2-fluorophenyl)-2-(3-fluoroazetidin-1-yl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide

C24H19ClF3N3O2 — CID 90078215

IUPACN-[4-(5-carbamoyl-2-fluorophenyl)-2-(3-fluoroazetidin-1-yl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2F)cc1N1CC(F)C1
InChIInChI=1S/C24H19ClF3N3O2/c1-30(24(33)22-17(25)3-2-4-19(22)28)20-8-6-13(10-21(20)31-11-15(26)12-31)16-9-14(23(29)32)5-7-18(16)27/h2-10,15H,11-12H2,1H3,(H2,29,32)
InChIKeyQZVTZXATAPBRIZ-UHFFFAOYSA-N
MW473.88 g/mol
LogP4.82
Rot. Bonds5

About N-[4-(5-carbamoyl-2-fluorophenyl)-2-(3-fluoroazetidin-1-yl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide

N-[4-(5-carbamoyl-2-fluorophenyl)-2-(3-fluoroazetidin-1-yl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide (PubChem CID 90078215) has the molecular formula C24H19ClF3N3O2 and a molecular weight of 473.88 g/mol. Its IUPAC name is N-[4-(5-carbamoyl-2-fluorophenyl)-2-(3-fluoroazetidin-1-yl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-(5-carbamoyl-2-fluorophenyl)-2-(3-fluoroazetidin-1-yl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide
PubChem CID90078215
Molecular FormulaC24H19ClF3N3O2
Molecular Weight473.88 g/mol
Exact Mass473.11
IUPAC NameN-[4-(5-carbamoyl-2-fluorophenyl)-2-(3-fluoroazetidin-1-yl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2F)cc1N1CC(F)C1
InChIInChI=1S/C24H19ClF3N3O2/c1-30(24(33)22-17(25)3-2-4-19(22)28)20-8-6-13(10-21(20)31-11-15(26)12-31)16-9-14(23(29)32)5-7-18(16)27/h2-10,15H,11-12H2,1H3,(H2,29,32)
InChIKeyQZVTZXATAPBRIZ-UHFFFAOYSA-N
XLogP4.82
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.88
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-carbamoyl-2-fluorophenyl)-2-(3-fluoroazetidin-1-yl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide?
The IUPAC name of N-[4-(5-carbamoyl-2-fluorophenyl)-2-(3-fluoroazetidin-1-yl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide (CID 90078215) is N-[4-(5-carbamoyl-2-fluorophenyl)-2-(3-fluoroazetidin-1-yl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[4-(5-carbamoyl-2-fluorophenyl)-2-(3-fluoroazetidin-1-yl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide?
The canonical SMILES for N-[4-(5-carbamoyl-2-fluorophenyl)-2-(3-fluoroazetidin-1-yl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide is CN(C(=O)c1c(F)cccc1Cl)c1ccc(-c2cc(C(N)=O)ccc2F)cc1N1CC(F)C1.
What is the InChIKey of N-[4-(5-carbamoyl-2-fluorophenyl)-2-(3-fluoroazetidin-1-yl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide?
The InChIKey is QZVTZXATAPBRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N3O2/c1-30(24(33)22-17(25)3-2-4-19(22)28)20-8-6-13(10-21(20)31-11-15(26)12-31)16-9-14(23(29)32)5-7-18(16)27/h2-10,15H,11-12H2,1H3,(H2,29,32).
What are the key properties of N-[4-(5-carbamoyl-2-fluorophenyl)-2-(3-fluoroazetidin-1-yl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide?
N-[4-(5-carbamoyl-2-fluorophenyl)-2-(3-fluoroazetidin-1-yl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide has a molecular weight of 473.88 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-carbamoyl-2-fluorophenyl)-2-(3-fluoroazetidin-1-yl)phenyl]-2-chloro-6-fluoro-N-methylbenzamide is sourced from PubChem (CID 90078215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).