N-[(2,4-dichlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C15H11Cl2F3N2O2 — CID 16725813

IUPACN-[(2,4-dichlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C15H11Cl2F3N2O2/c16-11-3-1-9(12(17)5-11)6-22-14(23)10-2-4-13(21-7-10)24-8-15(18,19)20/h1-5,7H,6,8H2,(H,22,23)
InChIKeyCQQHCCHCAFBVMX-UHFFFAOYSA-N
MW379.17 g/mol
LogP4.26
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[(2,4-dichlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 16725813) has the molecular formula C15H11Cl2F3N2O2 and a molecular weight of 379.17 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID16725813
Molecular FormulaC15H11Cl2F3N2O2
Molecular Weight379.17 g/mol
Exact Mass378.01
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1Cl)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C15H11Cl2F3N2O2/c16-11-3-1-9(12(17)5-11)6-22-14(23)10-2-4-13(21-7-10)24-8-15(18,19)20/h1-5,7H,6,8H2,(H,22,23)
InChIKeyCQQHCCHCAFBVMX-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

VU0404251
CID 58368068
Hsl-IN-1
CID 132569642
N-[3,3-Bis-(4-fluorophenyl)-propyl]-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
CID 44475365
Nlx204; nlx204
CID 132256735
6-(2,2,2-Trifluoroethoxy)nicotinamide
CID 2727208
N-benzyl-6-(3,3,3-trifluoropropoxy)nicotinamide
CID 45487805
N-[4-(2-Chloro-benzyloxy)-phenyl]-nicotinamide
CID 803928
2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 2080643
N-(3-chloro-4-fluorophenyl)-2-ethoxypyridine-3-carboxamide
CID 2477363
N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide
CID 2481263
N-[(2-chlorophenyl)methyl]-2-ethoxypyridine-3-carboxamide
CID 2574091
N3-imino(phenyl)methyl-6-(2,2,2-trifluoroethoxy)nicotinamide
CID 2746682

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 16725813) is N-[(2,4-dichlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NCc1ccc(Cl)cc1Cl)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is CQQHCCHCAFBVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2O2/c16-11-3-1-9(12(17)5-11)6-22-14(23)10-2-4-13(21-7-10)24-8-15(18,19)20/h1-5,7H,6,8H2,(H,22,23).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-6-(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-[(2,4-dichlorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 16725813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).