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

C14H18ClF3N2O3 — CID 55361512

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C14H18ClF3N2O3/c1-9(2)23-5-3-4-19-12(21)8-20-7-10(14(16,17)18)6-11(15)13(20)22/h6-7,9H,3-5,8H2,1-2H3,(H,19,21)
InChIKeyNMCJMPHEPCJFBI-UHFFFAOYSA-N
MW354.76 g/mol
LogP2.45
Rot. Bonds7

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 55361512) has the molecular formula C14H18ClF3N2O3 and a molecular weight of 354.76 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID55361512
Molecular FormulaC14H18ClF3N2O3
Molecular Weight354.76 g/mol
Exact Mass354.10
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCC(C)OCCCNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C14H18ClF3N2O3/c1-9(2)23-5-3-4-19-12(21)8-20-7-10(14(16,17)18)6-11(15)13(20)22/h6-7,9H,3-5,8H2,1-2H3,(H,19,21)
InChIKeyNMCJMPHEPCJFBI-UHFFFAOYSA-N
XLogP2.45
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.76
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-propan-2-yloxypropyl)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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-phenylmethoxypropyl)acetamide
CID 24682595
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2587547
3-chloro-1-(2-oxopropyl)-5-(trifluoromethyl)pyridin-2-one
CID 8894290
N-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 3966797
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 2445579
N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7183544
N-(3-propan-2-yloxypropyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 47015106
propan-2-yl 3-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]-3-(2-chlorophenyl)propanoate
CID 24590698
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2099437
2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]-N-(3-propan-2-yloxypropyl)acetamide
CID 19522045
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5001004
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 24566356

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-propan-2-yloxypropyl)acetamide (CID 55361512) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-propan-2-yloxypropyl)acetamide is CC(C)OCCCNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is NMCJMPHEPCJFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O3/c1-9(2)23-5-3-4-19-12(21)8-20-7-10(14(16,17)18)6-11(15)13(20)22/h6-7,9H,3-5,8H2,1-2H3,(H,19,21).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 354.76 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 55361512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).