2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide

C17H17ClF3N3O2 — CID 24851892

IUPAC2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCc1cc(Cl)cnc1Nc1c(C(=O)NOC(C)(C)C)cc(F)c(F)c1F
InChIInChI=1S/C17H17ClF3N3O2/c1-8-5-9(18)7-22-15(8)23-14-10(6-11(19)12(20)13(14)21)16(25)24-26-17(2,3)4/h5-7H,1-4H3,(H,22,23)(H,24,25)
InChIKeyBHIABTJTNJEJMT-UHFFFAOYSA-N
MW387.79 g/mol
LogP4.66
Rot. Bonds4

About 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide

2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide (PubChem CID 24851892) has the molecular formula C17H17ClF3N3O2 and a molecular weight of 387.79 g/mol. Its IUPAC name is 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide.

Molecular Properties

Compound Name2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide
PubChem CID24851892
Molecular FormulaC17H17ClF3N3O2
Molecular Weight387.79 g/mol
Exact Mass387.10
IUPAC Name2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCc1cc(Cl)cnc1Nc1c(C(=O)NOC(C)(C)C)cc(F)c(F)c1F
InChIInChI=1S/C17H17ClF3N3O2/c1-8-5-9(18)7-22-15(8)23-14-10(6-11(19)12(20)13(14)21)16(25)24-26-17(2,3)4/h5-7H,1-4H3,(H,22,23)(H,24,25)
InChIKeyBHIABTJTNJEJMT-UHFFFAOYSA-N
XLogP4.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]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-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide?
The IUPAC name of 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide (CID 24851892) is 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide.
What is the SMILES notation for 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide?
The canonical SMILES for 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide is Cc1cc(Cl)cnc1Nc1c(C(=O)NOC(C)(C)C)cc(F)c(F)c1F.
What is the InChIKey of 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide?
The InChIKey is BHIABTJTNJEJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O2/c1-8-5-9(18)7-22-15(8)23-14-10(6-11(19)12(20)13(14)21)16(25)24-26-17(2,3)4/h5-7H,1-4H3,(H,22,23)(H,24,25).
What are the key properties of 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide?
2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide has a molecular weight of 387.79 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-methyl-2-pyridinyl)amino]-3,4,5-trifluoro-N-[(2-methylpropan-2-yl)oxy]benzamide is sourced from PubChem (CID 24851892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).