2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide

C15H12F3NO2 — CID 110779927

IUPAC2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C15H12F3NO2/c1-21-10-4-2-3-9(7-10)8-19-15(20)11-5-6-12(16)14(18)13(11)17/h2-7H,8H2,1H3,(H,19,20)
InChIKeyJOXAKWDEYLBPRJ-UHFFFAOYSA-N
MW295.26 g/mol
LogP3.04
Rot. Bonds4

About 2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide

2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide (PubChem CID 110779927) has the molecular formula C15H12F3NO2 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide
PubChem CID110779927
Molecular FormulaC15H12F3NO2
Molecular Weight295.26 g/mol
Exact Mass295.08
IUPAC Name2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide
SMILESCOc1cccc(CNC(=O)c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C15H12F3NO2/c1-21-10-4-2-3-9(7-10)8-19-15(20)11-5-6-12(16)14(18)13(11)17/h2-7H,8H2,1H3,(H,19,20)
InChIKeyJOXAKWDEYLBPRJ-UHFFFAOYSA-N
XLogP3.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]-2,3,4-trifluorobenzamide
CID 110672522
5-chloro-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088202
3-bromo-2-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 106544075
2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 79755129
5-amino-2-bromo-4-fluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 62816468
3,4-difluoro-N-[(3-methoxyphenyl)methyl]benzamide
CID 30491738
3-[[(2,3,4-trifluorobenzoyl)amino]methyl]benzoic acid
CID 84761710
1-[(3-fluorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 52581023
2,4-dibromo-N-[(3-methoxyphenyl)methyl]benzamide
CID 103882071
2-iodo-N-[(3-methoxyphenyl)methyl]benzamide
CID 2468432
3-fluoro-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 9088186
3-hydroxy-N-[(3-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 27231686

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide (CID 110779927) is 2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide is COc1cccc(CNC(=O)c2ccc(F)c(F)c2F)c1.
What is the InChIKey of 2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide?
The InChIKey is JOXAKWDEYLBPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO2/c1-21-10-4-2-3-9(7-10)8-19-15(20)11-5-6-12(16)14(18)13(11)17/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide?
2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide has a molecular weight of 295.26 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(3-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 110779927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).