4-(3-carbamoylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

C23H17ClF3N3O3 — CID 46947924

IUPAC4-(3-carbamoylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1
InChIInChI=1S/C23H17ClF3N3O3/c1-22(21(32)30-14-5-6-18(24)17(10-14)23(25,26)27)11-16-15(7-8-29-20(16)33-22)12-3-2-4-13(9-12)19(28)31/h2-10H,11H2,1H3,(H2,28,31)(H,30,32)
InChIKeyHSIHVKKAZZCQDN-UHFFFAOYSA-N
MW475.85 g/mol
LogP4.85
Rot. Bonds4

About 4-(3-carbamoylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide

4-(3-carbamoylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide (PubChem CID 46947924) has the molecular formula C23H17ClF3N3O3 and a molecular weight of 475.85 g/mol. Its IUPAC name is 4-(3-carbamoylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-carbamoylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
PubChem CID46947924
Molecular FormulaC23H17ClF3N3O3
Molecular Weight475.85 g/mol
Exact Mass475.09
IUPAC Name4-(3-carbamoylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1
InChIInChI=1S/C23H17ClF3N3O3/c1-22(21(32)30-14-5-6-18(24)17(10-14)23(25,26)27)11-16-15(7-8-29-20(16)33-22)12-3-2-4-13(9-12)19(28)31/h2-10H,11H2,1H3,(H2,28,31)(H,30,32)
InChIKeyHSIHVKKAZZCQDN-UHFFFAOYSA-N
XLogP4.85
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.85
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3-carbamoylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide 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 4-(3-carbamoylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(3-carbamoylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide (CID 46947924) is 4-(3-carbamoylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3-carbamoylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(3-carbamoylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide is CC1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)Cc2c(-c3cccc(C(N)=O)c3)ccnc2O1.
What is the InChIKey of 4-(3-carbamoylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is HSIHVKKAZZCQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N3O3/c1-22(21(32)30-14-5-6-18(24)17(10-14)23(25,26)27)11-16-15(7-8-29-20(16)33-22)12-3-2-4-13(9-12)19(28)31/h2-10H,11H2,1H3,(H2,28,31)(H,30,32).
What are the key properties of 4-(3-carbamoylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide?
4-(3-carbamoylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 475.85 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamoylphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-3H-furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 46947924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).