2-chloro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide

C23H16ClF6N3O4 — CID 14626938

IUPAC2-chloro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2ccccc2Cl)cnc1OC(c1ccc(OC(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C23H16ClF6N3O4/c1-12-10-14(32-21(35)33-19(34)16-4-2-3-5-17(16)24)11-31-20(12)36-18(22(25,26)27)13-6-8-15(9-7-13)37-23(28,29)30/h2-11,18H,1H3,(H2,32,33,34,35)
InChIKeyVCNWRHRPGLNXSS-UHFFFAOYSA-N
MW547.84 g/mol
LogP6.59
Rot. Bonds6

About 2-chloro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide

2-chloro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide (PubChem CID 14626938) has the molecular formula C23H16ClF6N3O4 and a molecular weight of 547.84 g/mol. Its IUPAC name is 2-chloro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide
PubChem CID14626938
Molecular FormulaC23H16ClF6N3O4
Molecular Weight547.84 g/mol
Exact Mass547.07
IUPAC Name2-chloro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide
SMILESCc1cc(NC(=O)NC(=O)c2ccccc2Cl)cnc1OC(c1ccc(OC(F)(F)F)cc1)C(F)(F)F
InChIInChI=1S/C23H16ClF6N3O4/c1-12-10-14(32-21(35)33-19(34)16-4-2-3-5-17(16)24)11-31-20(12)36-18(22(25,26)27)13-6-8-15(9-7-13)37-23(28,29)30/h2-11,18H,1H3,(H2,32,33,34,35)
InChIKeyVCNWRHRPGLNXSS-UHFFFAOYSA-N
XLogP6.59
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.84
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]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 2-chloro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide (CID 14626938) is 2-chloro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide is Cc1cc(NC(=O)NC(=O)c2ccccc2Cl)cnc1OC(c1ccc(OC(F)(F)F)cc1)C(F)(F)F.
What is the InChIKey of 2-chloro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide?
The InChIKey is VCNWRHRPGLNXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF6N3O4/c1-12-10-14(32-21(35)33-19(34)16-4-2-3-5-17(16)24)11-31-20(12)36-18(22(25,26)27)13-6-8-15(9-7-13)37-23(28,29)30/h2-11,18H,1H3,(H2,32,33,34,35).
What are the key properties of 2-chloro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide?
2-chloro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide has a molecular weight of 547.84 g/mol, XLogP of 6.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[5-methyl-6-[2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethoxy]-3-pyridinyl]carbamoyl]benzamide is sourced from PubChem (CID 14626938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).