4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane

C19H23Cl2F3N2O2 — CID 164564570

IUPAC4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane
SMILESCC.CC.O=C(NCc1ccc(Cl)cc1)c1cc(Cl)c(OCC(F)(F)F)cn1
InChIInChI=1S/C15H11Cl2F3N2O2.2C2H6/c16-10-3-1-9(2-4-10)6-22-14(23)12-5-11(17)13(7-21-12)24-8-15(18,19)20;2*1-2/h1-5,7H,6,8H2,(H,22,23);2*1-2H3
InChIKeyHCLBWCNOUDJDDF-UHFFFAOYSA-N
MW439.31 g/mol
LogP6.31
Rot. Bonds5

About 4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane

4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane (PubChem CID 164564570) has the molecular formula C19H23Cl2F3N2O2 and a molecular weight of 439.31 g/mol. Its IUPAC name is 4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane.

Molecular Properties

Compound Name4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane
PubChem CID164564570
Molecular FormulaC19H23Cl2F3N2O2
Molecular Weight439.31 g/mol
Exact Mass438.11
IUPAC Name4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane
SMILESCC.CC.O=C(NCc1ccc(Cl)cc1)c1cc(Cl)c(OCC(F)(F)F)cn1
InChIInChI=1S/C15H11Cl2F3N2O2.2C2H6/c16-10-3-1-9(2-4-10)6-22-14(23)12-5-11(17)13(7-21-12)24-8-15(18,19)20;2*1-2/h1-5,7H,6,8H2,(H,22,23);2*1-2H3
InChIKeyHCLBWCNOUDJDDF-UHFFFAOYSA-N
XLogP6.31
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.31
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30342567
4-(4-chlorophenyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 56928692
N-[(4-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281984
N-[(4-chlorophenyl)methyl]-6-[(4-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109348666
5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282005
5-chloro-N-[[4-(hydroxymethyl)phenyl]methyl]pyridine-2-carboxamide
CID 107231717
6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 174836862
N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347267
N-[(4-chlorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348753
4-[(4-chlorophenyl)methylamino]-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109211857
N-[(4-hydroxyphenyl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577921
N-[(4-chlorophenyl)methyl]-4-(ethylamino)pyridine-2-carboxamide
CID 62186393

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane?
The IUPAC name of 4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane (CID 164564570) is 4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane.
What is the SMILES notation for 4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane?
The canonical SMILES for 4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane is CC.CC.O=C(NCc1ccc(Cl)cc1)c1cc(Cl)c(OCC(F)(F)F)cn1.
What is the InChIKey of 4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane?
The InChIKey is HCLBWCNOUDJDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3N2O2.2C2H6/c16-10-3-1-9(2-4-10)6-22-14(23)12-5-11(17)13(7-21-12)24-8-15(18,19)20;2*1-2/h1-5,7H,6,8H2,(H,22,23);2*1-2H3.
What are the key properties of 4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane?
4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane has a molecular weight of 439.31 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-chlorophenyl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide;ethane is sourced from PubChem (CID 164564570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).