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

C18H17ClF3N3O3 — CID 158943598

IUPACN-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(C(=O)CCCOc2ncc(C(F)(F)F)cc2Cl)ccn1
InChIInChI=1S/C18H17ClF3N3O3/c1-2-16(27)25-15-8-11(5-6-23-15)14(26)4-3-7-28-17-13(19)9-12(10-24-17)18(20,21)22/h5-6,8-10H,2-4,7H2,1H3,(H,23,25,27)
InChIKeyJKOCPNGWHHWKPE-UHFFFAOYSA-N
MW415.80 g/mol
LogP4.54
Rot. Bonds8

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

N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]propanamide (PubChem CID 158943598) has the molecular formula C18H17ClF3N3O3 and a molecular weight of 415.80 g/mol. Its IUPAC name is N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]propanamide
PubChem CID158943598
Molecular FormulaC18H17ClF3N3O3
Molecular Weight415.80 g/mol
Exact Mass415.09
IUPAC NameN-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]propanamide
SMILESCCC(=O)Nc1cc(C(=O)CCCOc2ncc(C(F)(F)F)cc2Cl)ccn1
InChIInChI=1S/C18H17ClF3N3O3/c1-2-16(27)25-15-8-11(5-6-23-15)14(26)4-3-7-28-17-13(19)9-12(10-24-17)18(20,21)22/h5-6,8-10H,2-4,7H2,1H3,(H,23,25,27)
InChIKeyJKOCPNGWHHWKPE-UHFFFAOYSA-N
XLogP4.54
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.80
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-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-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]-2-methylpropanamide
CID 159112779
N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]propanamide
CID 159177897
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-(propanoylamino)pyridine-4-carboxamide
CID 142503793
N-[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 153311479
N-[4-[(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]propanamide
CID 158930033
N-[4-[N'-[(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]carbamimidoyl]-2-pyridinyl]cyclopropanecarboxamide
CID 155416899
N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide
CID 160918694
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305
N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-6-methylpyrimidin-2-yl]acetamide
CID 158242267
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-6-methyl-2-(propanoylamino)pyrimidine-4-carboxamide
CID 142503835
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-ethylurea
CID 71994502
methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]propanamide?
The IUPAC name of N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]propanamide (CID 158943598) is N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]propanamide.
What is the SMILES notation for N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]propanamide?
The canonical SMILES for N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]propanamide is CCC(=O)Nc1cc(C(=O)CCCOc2ncc(C(F)(F)F)cc2Cl)ccn1.
What is the InChIKey of N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]propanamide?
The InChIKey is JKOCPNGWHHWKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O3/c1-2-16(27)25-15-8-11(5-6-23-15)14(26)4-3-7-28-17-13(19)9-12(10-24-17)18(20,21)22/h5-6,8-10H,2-4,7H2,1H3,(H,23,25,27).
What are the key properties of N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]propanamide?
N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]propanamide has a molecular weight of 415.80 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-2-pyridinyl]propanamide is sourced from PubChem (CID 158943598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).