N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide

C15H10Cl2F3N3O2 — CID 46687715

IUPACN-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)c(C(F)(F)F)c1
InChIInChI=1S/C15H10Cl2F3N3O2/c1-7(24)22-9-2-3-12(10(5-9)15(18,19)20)23-14(25)8-4-11(16)13(17)21-6-8/h2-6H,1H3,(H,22,24)(H,23,25)
InChIKeyOUBXDSGIRIWGIX-UHFFFAOYSA-N
MW392.16 g/mol
LogP4.62
Rot. Bonds3

About N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide

N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide (PubChem CID 46687715) has the molecular formula C15H10Cl2F3N3O2 and a molecular weight of 392.16 g/mol. Its IUPAC name is N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide
PubChem CID46687715
Molecular FormulaC15H10Cl2F3N3O2
Molecular Weight392.16 g/mol
Exact Mass391.01
IUPAC NameN-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)c(C(F)(F)F)c1
InChIInChI=1S/C15H10Cl2F3N3O2/c1-7(24)22-9-2-3-12(10(5-9)15(18,19)20)23-14(25)8-4-11(16)13(17)21-6-8/h2-6H,1H3,(H,22,24)(H,23,25)
InChIKeyOUBXDSGIRIWGIX-UHFFFAOYSA-N
XLogP4.62
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.16
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-acetamido-2-(trifluoromethyl)phenyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 78839498
5,6-dichloro-N-(2,4,5-trichlorophenyl)pyridine-3-carboxamide
CID 27687750
N-(4-acetamido-3-chlorophenyl)-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46485194
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179811
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(propan-2-ylamino)pyridine-3-carboxamide
CID 109223532
N-[4-acetamido-2-(trifluoromethyl)phenyl]-4-prop-2-enoxybenzamide
CID 134043379
4-[(5,6-dichloropyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
CID 60826406
N-(2-bromo-4-methylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7929866
5-chloro-2-[(5,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 43092327
5-(tert-butylamino)-N-[4-chloro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195266
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide
CID 109151376
N-(4-carbamoylphenyl)-5,6-dichloropyridine-3-carboxamide
CID 7760364

Frequently Asked Questions

What is the IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide (CID 46687715) is N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cnc(Cl)c(Cl)c2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide?
The InChIKey is OUBXDSGIRIWGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3N3O2/c1-7(24)22-9-2-3-12(10(5-9)15(18,19)20)23-14(25)8-4-11(16)13(17)21-6-8/h2-6H,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide?
N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide has a molecular weight of 392.16 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-acetamido-2-(trifluoromethyl)phenyl]-5,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 46687715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).