5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide

C19H13F4NO3 — CID 19453386

IUPAC5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)Nc2c(F)c(F)cc(F)c2F)o1
InChIInChI=1S/C19H13F4NO3/c1-10-4-2-3-5-14(10)26-9-11-6-7-15(27-11)19(25)24-18-16(22)12(20)8-13(21)17(18)23/h2-8H,9H2,1H3,(H,24,25)
InChIKeyCMDZCAROUYTFCC-UHFFFAOYSA-N
MW379.31 g/mol
LogP4.98
Rot. Bonds5

About 5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide

5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide (PubChem CID 19453386) has the molecular formula C19H13F4NO3 and a molecular weight of 379.31 g/mol. Its IUPAC name is 5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
PubChem CID19453386
Molecular FormulaC19H13F4NO3
Molecular Weight379.31 g/mol
Exact Mass379.08
IUPAC Name5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)Nc2c(F)c(F)cc(F)c2F)o1
InChIInChI=1S/C19H13F4NO3/c1-10-4-2-3-5-14(10)26-9-11-6-7-15(27-11)19(25)24-18-16(22)12(20)8-13(21)17(18)23/h2-8H,9H2,1H3,(H,24,25)
InChIKeyCMDZCAROUYTFCC-UHFFFAOYSA-N
XLogP4.98
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-methylphenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19455034
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539
N-(3,4-dichlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454983
N-(2-benzoyl-4-chlorophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19454982
5-[(4-tert-butylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide
CID 19450727
N-(2,3-dimethylphenyl)-5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxamide
CID 19457189
5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943
5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19455044
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19284024
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19407893
N-(cyclobutylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95756411
N-(3-methoxy-5-nitrophenyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19455035

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide (CID 19453386) is 5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide is Cc1ccccc1OCc1ccc(C(=O)Nc2c(F)c(F)cc(F)c2F)o1.
What is the InChIKey of 5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide?
The InChIKey is CMDZCAROUYTFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4NO3/c1-10-4-2-3-5-14(10)26-9-11-6-7-15(27-11)19(25)24-18-16(22)12(20)8-13(21)17(18)23/h2-8H,9H2,1H3,(H,24,25).
What are the key properties of 5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide?
5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide has a molecular weight of 379.31 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenoxy)methyl]-N-(2,3,5,6-tetrafluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 19453386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).