N-[(1Z,2R)-1-amino-1-hydroxyimino-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-2-[3-(4-methylphenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide

C24H24F6N6O4 — CID 88855911

IUPACN-[(1Z,2R)-1-amino-1-hydroxyimino-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-2-[3-(4-methylphenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide
SMILESCc1ccc(-c2nn(CC(=O)N[C@@](C)(/C(N)=N/O)c3cccc(C(F)(F)F)c3)c(=O)n2C[C@H](O)C(F)(F)F)cc1
InChIInChI=1S/C24H24F6N6O4/c1-13-6-8-14(9-7-13)19-33-36(21(39)35(19)11-17(37)24(28,29)30)12-18(38)32-22(2,20(31)34-40)15-4-3-5-16(10-15)23(25,26)27/h3-10,17,37,40H,11-12H2,1-2H3,(H2,31,34)(H,32,38)/t17-,22+/m0/s1
InChIKeyBBGGDOYPHPNQEL-HTAPYJJXSA-N
MW574.48 g/mol
LogP2.74
Rot. Bonds8

About N-[(1Z,2R)-1-amino-1-hydroxyimino-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-2-[3-(4-methylphenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide

N-[(1Z,2R)-1-amino-1-hydroxyimino-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-2-[3-(4-methylphenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide (PubChem CID 88855911) has the molecular formula C24H24F6N6O4 and a molecular weight of 574.48 g/mol. Its IUPAC name is N-[(1Z,2R)-1-amino-1-hydroxyimino-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-2-[3-(4-methylphenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1Z,2R)-1-amino-1-hydroxyimino-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-2-[3-(4-methylphenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide
PubChem CID88855911
Molecular FormulaC24H24F6N6O4
Molecular Weight574.48 g/mol
Exact Mass574.18
IUPAC NameN-[(1Z,2R)-1-amino-1-hydroxyimino-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-2-[3-(4-methylphenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide
SMILESCc1ccc(-c2nn(CC(=O)N[C@@](C)(/C(N)=N/O)c3cccc(C(F)(F)F)c3)c(=O)n2C[C@H](O)C(F)(F)F)cc1
InChIInChI=1S/C24H24F6N6O4/c1-13-6-8-14(9-7-13)19-33-36(21(39)35(19)11-17(37)24(28,29)30)12-18(38)32-22(2,20(31)34-40)15-4-3-5-16(10-15)23(25,26)27/h3-10,17,37,40H,11-12H2,1-2H3,(H2,31,34)(H,32,38)/t17-,22+/m0/s1
InChIKeyBBGGDOYPHPNQEL-HTAPYJJXSA-N
XLogP2.74
TPSA147.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.48
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(1Z,2R)-1-amino-1-hydroxyimino-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-2-[3-(4-methylphenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,2R)-1-amino-1-hydroxyimino-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-2-[3-(4-methylphenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-[(1Z,2R)-1-amino-1-hydroxyimino-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-2-[3-(4-methylphenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide (CID 88855911) is N-[(1Z,2R)-1-amino-1-hydroxyimino-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-2-[3-(4-methylphenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-[(1Z,2R)-1-amino-1-hydroxyimino-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-2-[3-(4-methylphenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-[(1Z,2R)-1-amino-1-hydroxyimino-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-2-[3-(4-methylphenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide is Cc1ccc(-c2nn(CC(=O)N[C@@](C)(/C(N)=N/O)c3cccc(C(F)(F)F)c3)c(=O)n2C[C@H](O)C(F)(F)F)cc1.
What is the InChIKey of N-[(1Z,2R)-1-amino-1-hydroxyimino-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-2-[3-(4-methylphenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide?
The InChIKey is BBGGDOYPHPNQEL-HTAPYJJXSA-N. The full InChI is InChI=1S/C24H24F6N6O4/c1-13-6-8-14(9-7-13)19-33-36(21(39)35(19)11-17(37)24(28,29)30)12-18(38)32-22(2,20(31)34-40)15-4-3-5-16(10-15)23(25,26)27/h3-10,17,37,40H,11-12H2,1-2H3,(H2,31,34)(H,32,38)/t17-,22+/m0/s1.
What are the key properties of N-[(1Z,2R)-1-amino-1-hydroxyimino-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-2-[3-(4-methylphenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide?
N-[(1Z,2R)-1-amino-1-hydroxyimino-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-2-[3-(4-methylphenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide has a molecular weight of 574.48 g/mol, XLogP of 2.74, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,2R)-1-amino-1-hydroxyimino-2-[3-(trifluoromethyl)phenyl]propan-2-yl]-2-[3-(4-methylphenyl)-5-oxo-4-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 88855911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).