4-acetamido-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-hydroxybenzamide

C22H16F5N3O4 — CID 71144201

IUPAC4-acetamido-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-hydroxybenzamide
SMILESCC(=O)Nc1ccc(C(=O)NC(c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)cc1O
InChIInChI=1S/C22H16F5N3O4/c1-11(31)29-16-6-4-13(10-17(16)32)21(33)30-19(20-14(23)3-2-8-28-20)12-5-7-18(15(24)9-12)34-22(25,26)27/h2-10,19,32H,1H3,(H,29,31)(H,30,33)
InChIKeyBLYBYCMUBNOAGB-UHFFFAOYSA-N
MW481.38 g/mol
LogP4.44
Rot. Bonds6

About 4-acetamido-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-hydroxybenzamide

4-acetamido-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-hydroxybenzamide (PubChem CID 71144201) has the molecular formula C22H16F5N3O4 and a molecular weight of 481.38 g/mol. Its IUPAC name is 4-acetamido-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-hydroxybenzamide.

Molecular Properties

Compound Name4-acetamido-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-hydroxybenzamide
PubChem CID71144201
Molecular FormulaC22H16F5N3O4
Molecular Weight481.38 g/mol
Exact Mass481.11
IUPAC Name4-acetamido-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-hydroxybenzamide
SMILESCC(=O)Nc1ccc(C(=O)NC(c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)cc1O
InChIInChI=1S/C22H16F5N3O4/c1-11(31)29-16-6-4-13(10-17(16)32)21(33)30-19(20-14(23)3-2-8-28-20)12-5-7-18(15(24)9-12)34-22(25,26)27/h2-10,19,32H,1H3,(H,29,31)(H,30,33)
InChIKeyBLYBYCMUBNOAGB-UHFFFAOYSA-N
XLogP4.44
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.38
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-acetamido-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-hydroxybenzamide 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-acetamido-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-hydroxybenzamide?
The IUPAC name of 4-acetamido-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-hydroxybenzamide (CID 71144201) is 4-acetamido-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-hydroxybenzamide.
What is the SMILES notation for 4-acetamido-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-hydroxybenzamide?
The canonical SMILES for 4-acetamido-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-hydroxybenzamide is CC(=O)Nc1ccc(C(=O)NC(c2ccc(OC(F)(F)F)c(F)c2)c2ncccc2F)cc1O.
What is the InChIKey of 4-acetamido-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-hydroxybenzamide?
The InChIKey is BLYBYCMUBNOAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F5N3O4/c1-11(31)29-16-6-4-13(10-17(16)32)21(33)30-19(20-14(23)3-2-8-28-20)12-5-7-18(15(24)9-12)34-22(25,26)27/h2-10,19,32H,1H3,(H,29,31)(H,30,33).
What are the key properties of 4-acetamido-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-hydroxybenzamide?
4-acetamido-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-hydroxybenzamide has a molecular weight of 481.38 g/mol, XLogP of 4.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-hydroxybenzamide is sourced from PubChem (CID 71144201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).