N-(3-benzoyl-2-pyridinyl)-2,2,2-trichloroacetamide

C14H9Cl3N2O2 — CID 19423537

IUPACN-(3-benzoyl-2-pyridinyl)-2,2,2-trichloroacetamide
SMILESO=C(c1ccccc1)c1cccnc1NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C14H9Cl3N2O2/c15-14(16,17)13(21)19-12-10(7-4-8-18-12)11(20)9-5-2-1-3-6-9/h1-8H,(H,18,19,21)
InChIKeyDMGYGKIEVRPZIU-UHFFFAOYSA-N
MW343.60 g/mol
LogP3.62
Rot. Bonds3

About N-(3-benzoyl-2-pyridinyl)-2,2,2-trichloroacetamide

N-(3-benzoyl-2-pyridinyl)-2,2,2-trichloroacetamide (PubChem CID 19423537) has the molecular formula C14H9Cl3N2O2 and a molecular weight of 343.60 g/mol. Its IUPAC name is N-(3-benzoyl-2-pyridinyl)-2,2,2-trichloroacetamide.

Molecular Properties

Compound NameN-(3-benzoyl-2-pyridinyl)-2,2,2-trichloroacetamide
PubChem CID19423537
Molecular FormulaC14H9Cl3N2O2
Molecular Weight343.60 g/mol
Exact Mass341.97
IUPAC NameN-(3-benzoyl-2-pyridinyl)-2,2,2-trichloroacetamide
SMILESO=C(c1ccccc1)c1cccnc1NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C14H9Cl3N2O2/c15-14(16,17)13(21)19-12-10(7-4-8-18-12)11(20)9-5-2-1-3-6-9/h1-8H,(H,18,19,21)
InChIKeyDMGYGKIEVRPZIU-UHFFFAOYSA-N
XLogP3.62
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.60
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
phenyl-[2-(pyrimidin-2-ylmethylamino)phenyl]methanone
CID 119051507
phenyl-(2-silylphenyl)methanone
CID 137327642
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
phenyl-[2-(2-trimethylsilylethynyl)-3-pyridinyl]methanone
CID 101446196
bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone
CID 67101566
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid
CID 55246558
N-(4-benzoylphenyl)pyridine-2-carboxamide
CID 157248993
5-fluoro-N-[3-(4-fluorobenzoyl)-2-pyridinyl]-2-methylbenzamide
CID 146090821

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-2-pyridinyl)-2,2,2-trichloroacetamide?
The IUPAC name of N-(3-benzoyl-2-pyridinyl)-2,2,2-trichloroacetamide (CID 19423537) is N-(3-benzoyl-2-pyridinyl)-2,2,2-trichloroacetamide.
What is the SMILES notation for N-(3-benzoyl-2-pyridinyl)-2,2,2-trichloroacetamide?
The canonical SMILES for N-(3-benzoyl-2-pyridinyl)-2,2,2-trichloroacetamide is O=C(c1ccccc1)c1cccnc1NC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of N-(3-benzoyl-2-pyridinyl)-2,2,2-trichloroacetamide?
The InChIKey is DMGYGKIEVRPZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3N2O2/c15-14(16,17)13(21)19-12-10(7-4-8-18-12)11(20)9-5-2-1-3-6-9/h1-8H,(H,18,19,21).
What are the key properties of N-(3-benzoyl-2-pyridinyl)-2,2,2-trichloroacetamide?
N-(3-benzoyl-2-pyridinyl)-2,2,2-trichloroacetamide has a molecular weight of 343.60 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-2-pyridinyl)-2,2,2-trichloroacetamide is sourced from PubChem (CID 19423537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).