N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide

C16H14F3NO3 — CID 110672522

IUPACN-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide
SMILESCOc1cc(CNC(=O)c2ccc(F)c(F)c2F)cc(OC)c1
InChIInChI=1S/C16H14F3NO3/c1-22-10-5-9(6-11(7-10)23-2)8-20-16(21)12-3-4-13(17)15(19)14(12)18/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyVBUWXKJSDSICRM-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.05
Rot. Bonds5

About N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide

N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide (PubChem CID 110672522) has the molecular formula C16H14F3NO3 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide
PubChem CID110672522
Molecular FormulaC16H14F3NO3
Molecular Weight325.29 g/mol
Exact Mass325.09
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide
SMILESCOc1cc(CNC(=O)c2ccc(F)c(F)c2F)cc(OC)c1
InChIInChI=1S/C16H14F3NO3/c1-22-10-5-9(6-11(7-10)23-2)8-20-16(21)12-3-4-13(17)15(19)14(12)18/h3-7H,8H2,1-2H3,(H,20,21)
InChIKeyVBUWXKJSDSICRM-UHFFFAOYSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 110779927
N-[[4-(chloromethyl)phenyl]methyl]-2,3,4-trifluorobenzamide
CID 107233561
2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 79755129
methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate
CID 531421
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzamide
CID 30691396
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
3-[[(2,3,4-trifluorobenzoyl)amino]methyl]benzoic acid
CID 84761710
1-[(3,5-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)urea
CID 23938828
3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 106544075
1-(4-chlorophenyl)-3-[(3,5-dimethoxyphenyl)methyl]urea
CID 23819690
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 108540873
5-fluoro-2-methoxy-N-[(3-methoxy-5-methylphenyl)methyl]benzamide
CID 167787930

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide (CID 110672522) is N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide is COc1cc(CNC(=O)c2ccc(F)c(F)c2F)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide?
The InChIKey is VBUWXKJSDSICRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO3/c1-22-10-5-9(6-11(7-10)23-2)8-20-16(21)12-3-4-13(17)15(19)14(12)18/h3-7H,8H2,1-2H3,(H,20,21).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide?
N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide has a molecular weight of 325.29 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 110672522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).