N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C15H12ClF3N2O2 — CID 2096931

IUPACN-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCc1ccccc1
InChIInChI=1S/C15H12ClF3N2O2/c16-12-6-11(15(17,18)19)8-21(14(12)23)9-13(22)20-7-10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,20,22)
InChIKeyHHJOZIVAQZCNCZ-UHFFFAOYSA-N
MW344.72 g/mol
LogP2.84
Rot. Bonds4

About N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 2096931) has the molecular formula C15H12ClF3N2O2 and a molecular weight of 344.72 g/mol. Its IUPAC name is N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID2096931
Molecular FormulaC15H12ClF3N2O2
Molecular Weight344.72 g/mol
Exact Mass344.05
IUPAC NameN-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCc1ccccc1
InChIInChI=1S/C15H12ClF3N2O2/c16-12-6-11(15(17,18)19)8-21(14(12)23)9-13(22)20-7-10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,20,22)
InChIKeyHHJOZIVAQZCNCZ-UHFFFAOYSA-N
XLogP2.84
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.72
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Benzyl-3-chloro-4-(prop-2-enylamino)pyrrole-2,5-dione
CID 1554888
N-[(4-fluorophenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4856618
N-[(4-fluorophenyl)methyl]-2-(2-oxopyridin-1-yl)acetamide
CID 9441317
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 2587431
N-methyl-6-oxo-1-[3-(trifluoromethyl)benzyl]-1,6-dihydro-3-pyridinecarboxamide
CID 3736463
6-oxo-N-[3-(trifluoromethyl)benzyl]-1,6-dihydropyridine-3-carboxamide
CID 2108324
1-(3,4-Difluorobenzyl)-6-oxo-1,6-dihydro-3-pyridinecarboxamide
CID 2764874
N-[1-(4-fluorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
CID 4968864
2-Oxo-1,2-dihydropyridin-3-yl amide derivative, 6b
CID 44473104
N-[(4-methylphenyl)methyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2081845
1-benzyl-3-chloro-4-(cyclohexylamino)-1H-pyrrole-2,5-dione
CID 728019
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylethyl)acetamide
CID 2425411

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 2096931) is N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is HHJOZIVAQZCNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2O2/c16-12-6-11(15(17,18)19)8-21(14(12)23)9-13(22)20-7-10-4-2-1-3-5-10/h1-6,8H,7,9H2,(H,20,22).
What are the key properties of N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 344.72 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 2096931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).