3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide

C16H12F5NO3 — CID 100680232

IUPAC3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C16H12F5NO3/c1-24-8-3-7(4-9(5-8)25-2)16(23)22-6-10-11(17)13(19)15(21)14(20)12(10)18/h3-5H,6H2,1-2H3,(H,22,23)
InChIKeyMDRJLSOJPTZUAS-UHFFFAOYSA-N
MW361.27 g/mol
LogP3.33
Rot. Bonds5

About 3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide

3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide (PubChem CID 100680232) has the molecular formula C16H12F5NO3 and a molecular weight of 361.27 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide
PubChem CID100680232
Molecular FormulaC16H12F5NO3
Molecular Weight361.27 g/mol
Exact Mass361.07
IUPAC Name3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C16H12F5NO3/c1-24-8-3-7(4-9(5-8)25-2)16(23)22-6-10-11(17)13(19)15(21)14(20)12(10)18/h3-5H,6H2,1-2H3,(H,22,23)
InChIKeyMDRJLSOJPTZUAS-UHFFFAOYSA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 53.33
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

3,5-dimethoxy-N-(2-oxopropyl)benzamide
CID 64996551
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110780162
N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110780940
N-[(2,4-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110782194
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
3,5-dimethoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 19282242
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
CID 18106671
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide (CID 100680232) is 3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide is COc1cc(OC)cc(C(=O)NCc2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide?
The InChIKey is MDRJLSOJPTZUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5NO3/c1-24-8-3-7(4-9(5-8)25-2)16(23)22-6-10-11(17)13(19)15(21)14(20)12(10)18/h3-5H,6H2,1-2H3,(H,22,23).
What are the key properties of 3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide?
3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide has a molecular weight of 361.27 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(2,3,4,5,6-pentafluorophenyl)methyl]benzamide is sourced from PubChem (CID 100680232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).