2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide

C23H20F3N3O3 — CID 55598567

IUPAC2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)COc1ccc(NC(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1
InChIInChI=1S/C23H20F3N3O3/c24-23(25,26)16-7-4-8-18(13-16)29-22(31)21(15-5-2-1-3-6-15)28-17-9-11-19(12-10-17)32-14-20(27)30/h1-13,21,28H,14H2,(H2,27,30)(H,29,31)
InChIKeyBSEGDGYNZNZOKB-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.36
Rot. Bonds8

About 2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide

2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 55598567) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is 2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID55598567
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESNC(=O)COc1ccc(NC(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1
InChIInChI=1S/C23H20F3N3O3/c24-23(25,26)16-7-4-8-18(13-16)29-22(31)21(15-5-2-1-3-6-15)28-17-9-11-19(12-10-17)32-14-20(27)30/h1-13,21,28H,14H2,(H2,27,30)(H,29,31)
InChIKeyBSEGDGYNZNZOKB-UHFFFAOYSA-N
XLogP4.36
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[4-[[2-oxo-1-phenyl-2-[3-(trifluoromethyl)anilino]ethyl]amino]phenyl]carbamate
CID 60542528
2-anilino-2-[3-(trifluoromethyl)phenyl]acetamide
CID 61005725
2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 126153530
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833
2-[2-(dimethylamino)ethylamino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 4881044
(2R)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 34754046
4-(2-amino-2-oxoethoxy)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 41188273
2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide
CID 112988067
(2R)-N-(ethylcarbamoyl)-2-phenyl-2-[3-(trifluoromethyl)anilino]acetamide
CID 40794821
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
N'-[[4-[2-oxo-2-(1-phenylethylamino)ethoxy]phenyl]methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide
CID 5014436
2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide
CID 18870141

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 55598567) is 2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide is NC(=O)COc1ccc(NC(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BSEGDGYNZNZOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c24-23(25,26)16-7-4-8-18(13-16)29-22(31)21(15-5-2-1-3-6-15)28-17-9-11-19(12-10-17)32-14-20(27)30/h1-13,21,28H,14H2,(H2,27,30)(H,29,31).
What are the key properties of 2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 443.43 g/mol, XLogP of 4.36, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-oxoethoxy)anilino]-2-phenyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 55598567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).