5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide

C18H14Cl2F3N3O4 — CID 19340719

IUPAC5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1cnn(COCC(F)(F)F)c1)c1ccc(COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H14Cl2F3N3O4/c19-11-1-3-15(14(20)5-11)29-8-13-2-4-16(30-13)17(27)25-12-6-24-26(7-12)10-28-9-18(21,22)23/h1-7H,8-10H2,(H,25,27)
InChIKeyJJADKSSRTKQQAW-UHFFFAOYSA-N
MW464.23 g/mol
LogP5.15
Rot. Bonds8

About 5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide

5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19340719) has the molecular formula C18H14Cl2F3N3O4 and a molecular weight of 464.23 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide
PubChem CID19340719
Molecular FormulaC18H14Cl2F3N3O4
Molecular Weight464.23 g/mol
Exact Mass463.03
IUPAC Name5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1cnn(COCC(F)(F)F)c1)c1ccc(COc2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C18H14Cl2F3N3O4/c19-11-1-3-15(14(20)5-11)29-8-13-2-4-16(30-13)17(27)25-12-6-24-26(7-12)10-28-9-18(21,22)23/h1-7H,8-10H2,(H,25,27)
InChIKeyJJADKSSRTKQQAW-UHFFFAOYSA-N
XLogP5.15
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.23
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19410358
5-[(4-tert-butylphenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19452597
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19408811
N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]-5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19408792
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-[(2,4-dichlorophenoxy)methyl]furan-2-carboxamide
CID 126211190
5-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19401779
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19395593
N-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19397489
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19408578
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-(2-phenylethyl)pyrazol-4-yl]furan-2-carboxamide
CID 95744605
5-[(2,4-difluorophenoxy)methyl]-N-[1-(methoxymethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19453344
3-[(2-chlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]benzamide
CID 19340714

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of 5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide (CID 19340719) is 5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide is O=C(Nc1cnn(COCC(F)(F)F)c1)c1ccc(COc2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is JJADKSSRTKQQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2F3N3O4/c19-11-1-3-15(14(20)5-11)29-8-13-2-4-16(30-13)17(27)25-12-6-24-26(7-12)10-28-9-18(21,22)23/h1-7H,8-10H2,(H,25,27).
What are the key properties of 5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide?
5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 464.23 g/mol, XLogP of 5.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenoxy)methyl]-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19340719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).