N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide

C26H24F3N3O3 — CID 163427499

IUPACN-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide
SMILESCOc1cccc(C(CN)NC(=O)c2cc(-c3ccc4c(c3)C(C)=NC4)ccc2OC(F)(F)F)c1
InChIInChI=1S/C26H24F3N3O3/c1-15-21-11-16(6-7-19(21)14-31-15)17-8-9-24(35-26(27,28)29)22(12-17)25(33)32-23(13-30)18-4-3-5-20(10-18)34-2/h3-12,23H,13-14,30H2,1-2H3,(H,32,33)
InChIKeyANTZWYUYGIXPSO-UHFFFAOYSA-N
MW483.49 g/mol
LogP5.01
Rot. Bonds7

About N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide

N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide (PubChem CID 163427499) has the molecular formula C26H24F3N3O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide
PubChem CID163427499
Molecular FormulaC26H24F3N3O3
Molecular Weight483.49 g/mol
Exact Mass483.18
IUPAC NameN-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide
SMILESCOc1cccc(C(CN)NC(=O)c2cc(-c3ccc4c(c3)C(C)=NC4)ccc2OC(F)(F)F)c1
InChIInChI=1S/C26H24F3N3O3/c1-15-21-11-16(6-7-19(21)14-31-15)17-8-9-24(35-26(27,28)29)22(12-17)25(33)32-23(13-30)18-4-3-5-20(10-18)34-2/h3-12,23H,13-14,30H2,1-2H3,(H,32,33)
InChIKeyANTZWYUYGIXPSO-UHFFFAOYSA-N
XLogP5.01
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.49
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-amino-1-(3-methylphenyl)ethyl]-2-methoxy-5-(3-methyl-1H-isoindol-5-yl)benzamide
CID 163869699
3-(3-amino-1H-isoindol-5-yl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 163802313
N-[2-amino-1-(3-methoxyphenyl)ethyl]-2-(difluoromethoxy)-5-(3-methyl-2H-indazol-5-yl)benzamide
CID 146209069
N-[(1S)-2-[(4-bromobenzoyl)amino]-1-(3-methoxyphenyl)ethyl]-4-(3-methyl-1H-isoindol-5-yl)pyridine-2-carboxamide
CID 167592556
N-[2-amino-1-(3-methoxyphenyl)ethyl]-4-chlorobenzamide
CID 166366125
N-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]-3-(3-fluoro-2H-indazol-5-yl)benzamide
CID 146209142
2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
CID 107104668
N-(2-amino-1-phenylethyl)-3-methoxypyridine-4-carboxamide
CID 105064640
ethyl 2-methoxy-5-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633459
(3S)-3-amino-3-[3-(3-methoxyphenyl)-4-(trifluoromethoxy)phenyl]propanoic acid
CID 135367055
3-(4-amino-3-methanimidoylphenyl)-N-[2-amino-1-(3-methoxyphenyl)ethyl]benzamide
CID 146209145
ethyl 3-[(2-iodo-3-methylbenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55879116

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide (CID 163427499) is N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide is COc1cccc(C(CN)NC(=O)c2cc(-c3ccc4c(c3)C(C)=NC4)ccc2OC(F)(F)F)c1.
What is the InChIKey of N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide?
The InChIKey is ANTZWYUYGIXPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O3/c1-15-21-11-16(6-7-19(21)14-31-15)17-8-9-24(35-26(27,28)29)22(12-17)25(33)32-23(13-30)18-4-3-5-20(10-18)34-2/h3-12,23H,13-14,30H2,1-2H3,(H,32,33).
What are the key properties of N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide?
N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide has a molecular weight of 483.49 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-(3-methoxyphenyl)ethyl]-5-(3-methyl-1H-isoindol-5-yl)-2-(trifluoromethoxy)benzamide is sourced from PubChem (CID 163427499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).