N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C15H11Cl2F3N2O2 — CID 2727206

IUPACN-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C15H11Cl2F3N2O2/c16-11-4-3-9(6-12(11)17)7-22-13(23)10-2-1-5-21-14(10)24-8-15(18,19)20/h1-6H,7-8H2,(H,22,23)
InChIKeyMAGWZBFAPPIJIO-UHFFFAOYSA-N
MW379.17 g/mol
LogP4.26
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 2727206) has the molecular formula C15H11Cl2F3N2O2 and a molecular weight of 379.17 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID2727206
Molecular FormulaC15H11Cl2F3N2O2
Molecular Weight379.17 g/mol
Exact Mass378.01
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C15H11Cl2F3N2O2/c16-11-4-3-9(6-12(11)17)7-22-13(23)10-2-1-5-21-14(10)24-8-15(18,19)20/h1-6H,7-8H2,(H,22,23)
InChIKeyMAGWZBFAPPIJIO-UHFFFAOYSA-N
XLogP4.26
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.17
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 134005289
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31909915
N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46482950
N-[(2-fluorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31900375
N-(furan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 31848498
N-[(6-methyl-2-pyridinyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 87041610
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 39821310
2,5-dichloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30342567
N-(4-hydroxy-2-methylpentyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 111447628
N-(oxolan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 42953477
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 75399289
N'-(2-bromobenzoyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 31853242

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 2727206) is N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NCc1ccc(Cl)c(Cl)c1)c1cccnc1OCC(F)(F)F.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is MAGWZBFAPPIJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2O2/c16-11-4-3-9(6-12(11)17)7-22-13(23)10-2-1-5-21-14(10)24-8-15(18,19)20/h1-6H,7-8H2,(H,22,23).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 379.17 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 2727206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).