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

C15H11F4NO3 — CID 3908223

IUPACN-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
SMILESCOc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c(OC)c1
InChIInChI=1S/C15H11F4NO3/c1-22-7-3-4-10(11(5-7)23-2)20-15(21)8-6-9(16)13(18)14(19)12(8)17/h3-6H,1-2H3,(H,20,21)
InChIKeyMOPBWVQKWVPVPA-UHFFFAOYSA-N
MW329.25 g/mol
LogP3.51
Rot. Bonds4

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

N-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide (PubChem CID 3908223) has the molecular formula C15H11F4NO3 and a molecular weight of 329.25 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
PubChem CID3908223
Molecular FormulaC15H11F4NO3
Molecular Weight329.25 g/mol
Exact Mass329.07
IUPAC NameN-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
SMILESCOc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c(OC)c1
InChIInChI=1S/C15H11F4NO3/c1-22-7-3-4-10(11(5-7)23-2)20-15(21)8-6-9(16)13(18)14(19)12(8)17/h3-6H,1-2H3,(H,20,21)
InChIKeyMOPBWVQKWVPVPA-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

2,4-dichloro-N-(2,4-dimethoxyphenyl)-5-fluorobenzamide
CID 9192573
2-amino-N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 62060818
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
2,3,4,5-tetrafluoro-N-[4-methoxy-3-(4-methoxyphenoxy)phenyl]benzamide
CID 18272971
N-(3,5-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide
CID 7960826
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5-tetrafluorobenzamide
CID 43031434
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methoxybenzamide
CID 115413055
N-(4-bromo-2-fluorophenyl)-2,4-dimethoxybenzamide
CID 1154183
N-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766220
2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide
CID 61089728

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide (CID 3908223) is N-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide is COc1ccc(NC(=O)c2cc(F)c(F)c(F)c2F)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide?
The InChIKey is MOPBWVQKWVPVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NO3/c1-22-7-3-4-10(11(5-7)23-2)20-15(21)8-6-9(16)13(18)14(19)12(8)17/h3-6H,1-2H3,(H,20,21).
What are the key properties of N-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide?
N-(2,4-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-(2,4-dimethoxyphenyl)-2,3,4,5-tetrafluorobenzamide is sourced from PubChem (CID 3908223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).