5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide

C18H17F2N3O3 — CID 19453151

IUPAC5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1ccc(COc2ccc(F)cc2F)o1
InChIInChI=1S/C18H17F2N3O3/c1-11-12(9-23(2)22-11)8-21-18(24)17-6-4-14(26-17)10-25-16-5-3-13(19)7-15(16)20/h3-7,9H,8,10H2,1-2H3,(H,21,24)
InChIKeyDETUTNWCQKGEDR-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.11
Rot. Bonds6

About 5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide

5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 19453151) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is 5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide
PubChem CID19453151
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide
SMILESCc1nn(C)cc1CNC(=O)c1ccc(COc2ccc(F)cc2F)o1
InChIInChI=1S/C18H17F2N3O3/c1-11-12(9-23(2)22-11)8-21-18(24)17-6-4-14(26-17)10-25-16-5-3-13(19)7-15(16)20/h3-7,9H,8,10H2,1-2H3,(H,21,24)
InChIKeyDETUTNWCQKGEDR-UHFFFAOYSA-N
XLogP3.11
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chloro-4-fluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19288482
N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carboxamide
CID 19288518
5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19288684
5-[(2,4-difluorophenoxy)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 4865246
5-[(2,4-difluorophenoxy)methyl]-N-(4,6-dimethylpyrimidin-2-yl)furan-2-carboxamide
CID 35336375
5-[(2,4-difluorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19453092
5-[(2,4-difluorophenoxy)methyl]-N-[1-(methoxymethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19453344
4-[(2,4-difluorophenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19483906
5-[(2,4-difluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
CID 19453314
5-[(2,4-difluorophenoxy)methyl]-N-(4-methyl-3,5-dinitrophenyl)furan-2-carboxamide
CID 19453273
5-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19453233
N-(3,4-dichlorophenyl)-5-[(2,4-difluorophenoxy)methyl]furan-2-carboxamide
CID 19453113

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide (CID 19453151) is 5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide is Cc1nn(C)cc1CNC(=O)c1ccc(COc2ccc(F)cc2F)o1.
What is the InChIKey of 5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide?
The InChIKey is DETUTNWCQKGEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c1-11-12(9-23(2)22-11)8-21-18(24)17-6-4-14(26-17)10-25-16-5-3-13(19)7-15(16)20/h3-7,9H,8,10H2,1-2H3,(H,21,24).
What are the key properties of 5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide?
5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 361.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-difluorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 19453151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).