N-[[2-amino-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]phenyl]methyl]-2-methoxybenzamide

C19H20F3N3O3 — CID 175181598

IUPACN-[[2-amino-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(NC(=O)C(C)C(F)(F)F)cc1N
InChIInChI=1S/C19H20F3N3O3/c1-11(19(20,21)22)17(26)25-13-8-7-12(15(23)9-13)10-24-18(27)14-5-3-4-6-16(14)28-2/h3-9,11H,10,23H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyZAVQXGADEWMYLV-UHFFFAOYSA-N
MW395.38 g/mol
LogP3.34
Rot. Bonds6

About N-[[2-amino-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]phenyl]methyl]-2-methoxybenzamide

N-[[2-amino-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]phenyl]methyl]-2-methoxybenzamide (PubChem CID 175181598) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-[[2-amino-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]phenyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[2-amino-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]phenyl]methyl]-2-methoxybenzamide
PubChem CID175181598
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC NameN-[[2-amino-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]phenyl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1ccc(NC(=O)C(C)C(F)(F)F)cc1N
InChIInChI=1S/C19H20F3N3O3/c1-11(19(20,21)22)17(26)25-13-8-7-12(15(23)9-13)10-24-18(27)14-5-3-4-6-16(14)28-2/h3-9,11H,10,23H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyZAVQXGADEWMYLV-UHFFFAOYSA-N
XLogP3.34
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2-methoxybenzoyl)amino]methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 90012211
N-[[2-amino-4-(3,3,3-trifluoropropanoylamino)phenyl]methyl]-5-fluoro-2-methoxybenzamide
CID 175174643
N-[1-(3-amino-4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide;hydrochloride
CID 119418919
[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8736003
[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735978
N-(3-amino-4-ethylphenyl)-2-hydroxy-3-methoxybenzamide
CID 43550234
N-(3-amino-4-ethoxyphenyl)-2-methoxybenzamide
CID 70635969
2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723044
N-(3-amino-4-methoxyphenyl)-2,3,3-trimethylbutanamide
CID 119419413
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 31069159
2-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 18121295

Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]phenyl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[2-amino-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]phenyl]methyl]-2-methoxybenzamide (CID 175181598) is N-[[2-amino-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]phenyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[2-amino-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]phenyl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[2-amino-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]phenyl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1ccc(NC(=O)C(C)C(F)(F)F)cc1N.
What is the InChIKey of N-[[2-amino-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]phenyl]methyl]-2-methoxybenzamide?
The InChIKey is ZAVQXGADEWMYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c1-11(19(20,21)22)17(26)25-13-8-7-12(15(23)9-13)10-24-18(27)14-5-3-4-6-16(14)28-2/h3-9,11H,10,23H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of N-[[2-amino-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]phenyl]methyl]-2-methoxybenzamide?
N-[[2-amino-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]phenyl]methyl]-2-methoxybenzamide has a molecular weight of 395.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-4-[(3,3,3-trifluoro-2-methylpropanoyl)amino]phenyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 175181598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).