2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide

C20H20F4N2O4 — CID 22778783

IUPAC2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1OC
InChIInChI=1S/C20H20F4N2O4/c1-4-5-6-13(27)26-11-8-7-10(9-12(11)29-2)25-20(28)14-15(21)17(23)19(30-3)18(24)16(14)22/h7-9H,4-6H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyFCJXEYUMYOVXKS-UHFFFAOYSA-N
MW428.38 g/mol
LogP4.64
Rot. Bonds8

About 2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide

2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide (PubChem CID 22778783) has the molecular formula C20H20F4N2O4 and a molecular weight of 428.38 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
PubChem CID22778783
Molecular FormulaC20H20F4N2O4
Molecular Weight428.38 g/mol
Exact Mass428.14
IUPAC Name2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
SMILESCCCCC(=O)Nc1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1OC
InChIInChI=1S/C20H20F4N2O4/c1-4-5-6-13(27)26-11-8-7-10(9-12(11)29-2)25-20(28)14-15(21)17(23)19(30-3)18(24)16(14)22/h7-9H,4-6H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyFCJXEYUMYOVXKS-UHFFFAOYSA-N
XLogP4.64
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.38
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6-tetrafluoro-4-methoxy-N-[[3-methoxy-4-(pentanoylamino)phenyl]carbamothioyl]benzamide
CID 17115591
3,4,5-trimethoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2236592
N-[3-methoxy-4-(pentanoylamino)phenyl]hexanamide
CID 5120447
N-[4-(butanoylamino)-3-methoxyphenyl]-2,4-difluoro-3-methoxybenzamide
CID 131896646
N-[3-methoxy-4-(pentanoylamino)phenyl]-3,5-dimethylbenzamide
CID 2210417
4-ethyl-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2993875
4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2932391
3-chloro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2178714
5-bromo-2-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 21215255
5-bromo-N-[3-methoxy-4-(pentanoylamino)phenyl]furan-2-carboxamide
CID 2933388
N-[4-(methanesulfonamido)-2-methoxyphenyl]pentanamide
CID 134990532
N-[5-(butanoylamino)-2-chlorophenyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide
CID 2236520

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
The IUPAC name of 2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide (CID 22778783) is 2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide is CCCCC(=O)Nc1ccc(NC(=O)c2c(F)c(F)c(OC)c(F)c2F)cc1OC.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
The InChIKey is FCJXEYUMYOVXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O4/c1-4-5-6-13(27)26-11-8-7-10(9-12(11)29-2)25-20(28)14-15(21)17(23)19(30-3)18(24)16(14)22/h7-9H,4-6H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide?
2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide has a molecular weight of 428.38 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-methoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide is sourced from PubChem (CID 22778783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).