N-[3-methoxy-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-4-(trifluoromethoxy)benzamide

C23H17F3N2O4 — CID 141304338

IUPACN-[3-methoxy-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESCOc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)ccc1-c1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C23H17F3N2O4/c1-31-20-11-16(28-21(29)13-4-7-17(8-5-13)32-23(24,25)26)6-9-18(20)14-2-3-15-12-27-22(30)19(15)10-14/h2-11H,12H2,1H3,(H,27,30)(H,28,29)
InChIKeyUVAGPQGFGDOMLD-UHFFFAOYSA-N
MW442.39 g/mol
LogP4.76
Rot. Bonds5

About N-[3-methoxy-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-4-(trifluoromethoxy)benzamide

N-[3-methoxy-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-4-(trifluoromethoxy)benzamide (PubChem CID 141304338) has the molecular formula C23H17F3N2O4 and a molecular weight of 442.39 g/mol. Its IUPAC name is N-[3-methoxy-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-4-(trifluoromethoxy)benzamide
PubChem CID141304338
Molecular FormulaC23H17F3N2O4
Molecular Weight442.39 g/mol
Exact Mass442.11
IUPAC NameN-[3-methoxy-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-4-(trifluoromethoxy)benzamide
SMILESCOc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)ccc1-c1ccc2c(c1)C(=O)NC2
InChIInChI=1S/C23H17F3N2O4/c1-31-20-11-16(28-21(29)13-4-7-17(8-5-13)32-23(24,25)26)6-9-18(20)14-2-3-15-12-27-22(30)19(15)10-14/h2-11H,12H2,1H3,(H,27,30)(H,28,29)
InChIKeyUVAGPQGFGDOMLD-UHFFFAOYSA-N
XLogP4.76
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.39
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
6-methoxy-N-[3-methoxy-4-(4-methoxyphenyl)phenyl]naphthalene-2-carboxamide
CID 57401328
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
cyclopentyl 3-oxo-5-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]-1H-isoindole-2-carboxylate
CID 67307155
methyl 4-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)carbamoyl]benzoate
CID 56764988
3,4-dimethoxy-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)benzamide
CID 90524781
2-cyano-2-methyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)propanamide
CID 75418530
6-oxo-N-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyridine-3-carboxamide
CID 75418529
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
methyl 3-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 4963798
(2S)-2-[5-[4-[(4-butoxybenzoyl)amino]-2-methoxyphenyl]-3-oxo-1H-isoindol-2-yl]-3-methylbutanoic acid
CID 67306972
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[3-methoxy-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-4-(trifluoromethoxy)benzamide (CID 141304338) is N-[3-methoxy-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[3-methoxy-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[3-methoxy-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-4-(trifluoromethoxy)benzamide is COc1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)ccc1-c1ccc2c(c1)C(=O)NC2.
What is the InChIKey of N-[3-methoxy-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is UVAGPQGFGDOMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O4/c1-31-20-11-16(28-21(29)13-4-7-17(8-5-13)32-23(24,25)26)6-9-18(20)14-2-3-15-12-27-22(30)19(15)10-14/h2-11H,12H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[3-methoxy-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-4-(trifluoromethoxy)benzamide?
N-[3-methoxy-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 442.39 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(3-oxo-1,2-dihydroisoindol-5-yl)phenyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 141304338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).