N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide

C15H11F4NO3 — CID 7960826

IUPACN-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
SMILESCOc1cc(NC(=O)c2cc(F)c(F)c(F)c2F)cc(OC)c1
InChIInChI=1S/C15H11F4NO3/c1-22-8-3-7(4-9(5-8)23-2)20-15(21)10-6-11(16)13(18)14(19)12(10)17/h3-6H,1-2H3,(H,20,21)
InChIKeyLZSWWKUXBQLYME-UHFFFAOYSA-N
MW329.25 g/mol
LogP3.51
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide

N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide (PubChem CID 7960826) has the molecular formula C15H11F4NO3 and a molecular weight of 329.25 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
PubChem CID7960826
Molecular FormulaC15H11F4NO3
Molecular Weight329.25 g/mol
Exact Mass329.07
IUPAC NameN-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
SMILESCOc1cc(NC(=O)c2cc(F)c(F)c(F)c2F)cc(OC)c1
InChIInChI=1S/C15H11F4NO3/c1-22-8-3-7(4-9(5-8)23-2)20-15(21)10-6-11(16)13(18)14(19)12(10)17/h3-6H,1-2H3,(H,20,21)
InChIKeyLZSWWKUXBQLYME-UHFFFAOYSA-N
XLogP3.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethoxyphenyl)-2,5-difluorobenzamide
CID 17400602
2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide
CID 18272971
N-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 3908223
N-(3,5-dimethoxyphenyl)-5-fluoro-2-methylbenzamide
CID 33219668
N-(3,5-dimethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 2200296
3-bromo-N-(3,5-dimethoxyphenyl)-4-fluorobenzamide
CID 103706313
2,3,4,5-tetrafluoro-N-(4-iodophenyl)benzamide
CID 3448469
N-(3-bromo-5-methoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 103876604
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
N-[4-(4-anilinoanilino)phenyl]-2,3,4,5-tetrafluorobenzamide
CID 170144431
2,5-dichloro-N-(3,5-dimethoxyphenyl)thiophene-3-carboxamide
CID 30272266

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide (CID 7960826) is N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide is COc1cc(NC(=O)c2cc(F)c(F)c(F)c2F)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide?
The InChIKey is LZSWWKUXBQLYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO3/c1-22-8-3-7(4-9(5-8)23-2)20-15(21)10-6-11(16)13(18)14(19)12(10)17/h3-6H,1-2H3,(H,20,21).
What are the key properties of N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide?
N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide has a molecular weight of 329.25 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide is sourced from PubChem (CID 7960826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).