2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide

C16H13Cl2F3N2O2 — CID 171985825

IUPAC2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2F3N2O2/c1-8-5-11(3-4-12(8)17)25-9(2)15(24)23-14-13(18)6-10(7-22-14)16(19,20)21/h3-7,9H,1-2H3,(H,22,23,24)
InChIKeyLCSOEFVTQYSXFO-UHFFFAOYSA-N
MW393.19 g/mol
LogP5.12
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide

2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 171985825) has the molecular formula C16H13Cl2F3N2O2 and a molecular weight of 393.19 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID171985825
Molecular FormulaC16H13Cl2F3N2O2
Molecular Weight393.19 g/mol
Exact Mass392.03
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCc1cc(OC(C)C(=O)Nc2ncc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C16H13Cl2F3N2O2/c1-8-5-11(3-4-12(8)17)25-9(2)15(24)23-14-13(18)6-10(7-22-14)16(19,20)21/h3-7,9H,1-2H3,(H,22,23,24)
InChIKeyLCSOEFVTQYSXFO-UHFFFAOYSA-N
XLogP5.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.19
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide 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

N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(3,4-dimethylphenoxy)propanamide
CID 53266514
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 4-(4-methylphenyl)-4-oxobutanoate
CID 42923481
(2R)-2-(4-chloro-3-methylphenoxy)-N-(4-methyl-2-pyridinyl)propanamide
CID 7379498
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7794811
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 26542487
[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate
CID 42894992
2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2996131
(2R)-2-(4-chloro-3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 7380218
(2S)-N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019991
(2S)-2-(4-chloro-3-methylphenoxy)-N-(2-chloro-3-pyridinyl)propanamide
CID 841539

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide (CID 171985825) is 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide is Cc1cc(OC(C)C(=O)Nc2ncc(C(F)(F)F)cc2Cl)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is LCSOEFVTQYSXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3N2O2/c1-8-5-11(3-4-12(8)17)25-9(2)15(24)23-14-13(18)6-10(7-22-14)16(19,20)21/h3-7,9H,1-2H3,(H,22,23,24).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide?
2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 393.19 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 171985825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).