N-[2,3-dihydroxy-1,4-diphenyl-4-[(2,2,2-trifluoroacetyl)amino]butyl]-2,2,2-trifluoroacetamide

C20H18F6N2O4 — CID 133064023

IUPACN-[2,3-dihydroxy-1,4-diphenyl-4-[(2,2,2-trifluoroacetyl)amino]butyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC(c1ccccc1)C(O)C(O)C(NC(=O)C(F)(F)F)c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H18F6N2O4/c21-19(22,23)17(31)27-13(11-7-3-1-4-8-11)15(29)16(30)14(12-9-5-2-6-10-12)28-18(32)20(24,25)26/h1-10,13-16,29-30H,(H,27,31)(H,28,32)
InChIKeyLVCSAVSSKZUIDV-UHFFFAOYSA-N
MW464.36 g/mol
LogP2.55
Rot. Bonds7

About N-[2,3-dihydroxy-1,4-diphenyl-4-[(2,2,2-trifluoroacetyl)amino]butyl]-2,2,2-trifluoroacetamide

N-[2,3-dihydroxy-1,4-diphenyl-4-[(2,2,2-trifluoroacetyl)amino]butyl]-2,2,2-trifluoroacetamide (PubChem CID 133064023) has the molecular formula C20H18F6N2O4 and a molecular weight of 464.36 g/mol. Its IUPAC name is N-[2,3-dihydroxy-1,4-diphenyl-4-[(2,2,2-trifluoroacetyl)amino]butyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-1,4-diphenyl-4-[(2,2,2-trifluoroacetyl)amino]butyl]-2,2,2-trifluoroacetamide
PubChem CID133064023
Molecular FormulaC20H18F6N2O4
Molecular Weight464.36 g/mol
Exact Mass464.12
IUPAC NameN-[2,3-dihydroxy-1,4-diphenyl-4-[(2,2,2-trifluoroacetyl)amino]butyl]-2,2,2-trifluoroacetamide
SMILESO=C(NC(c1ccccc1)C(O)C(O)C(NC(=O)C(F)(F)F)c1ccccc1)C(F)(F)F
InChIInChI=1S/C20H18F6N2O4/c21-19(22,23)17(31)27-13(11-7-3-1-4-8-11)15(29)16(30)14(12-9-5-2-6-10-12)28-18(32)20(24,25)26/h1-10,13-16,29-30H,(H,27,31)(H,28,32)
InChIKeyLVCSAVSSKZUIDV-UHFFFAOYSA-N
XLogP2.55
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.36
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-1,4-diphenyl-4-[(2,2,2-trifluoroacetyl)amino]butyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2,3-dihydroxy-1,4-diphenyl-4-[(2,2,2-trifluoroacetyl)amino]butyl]-2,2,2-trifluoroacetamide (CID 133064023) is N-[2,3-dihydroxy-1,4-diphenyl-4-[(2,2,2-trifluoroacetyl)amino]butyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2,3-dihydroxy-1,4-diphenyl-4-[(2,2,2-trifluoroacetyl)amino]butyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2,3-dihydroxy-1,4-diphenyl-4-[(2,2,2-trifluoroacetyl)amino]butyl]-2,2,2-trifluoroacetamide is O=C(NC(c1ccccc1)C(O)C(O)C(NC(=O)C(F)(F)F)c1ccccc1)C(F)(F)F.
What is the InChIKey of N-[2,3-dihydroxy-1,4-diphenyl-4-[(2,2,2-trifluoroacetyl)amino]butyl]-2,2,2-trifluoroacetamide?
The InChIKey is LVCSAVSSKZUIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N2O4/c21-19(22,23)17(31)27-13(11-7-3-1-4-8-11)15(29)16(30)14(12-9-5-2-6-10-12)28-18(32)20(24,25)26/h1-10,13-16,29-30H,(H,27,31)(H,28,32).
What are the key properties of N-[2,3-dihydroxy-1,4-diphenyl-4-[(2,2,2-trifluoroacetyl)amino]butyl]-2,2,2-trifluoroacetamide?
N-[2,3-dihydroxy-1,4-diphenyl-4-[(2,2,2-trifluoroacetyl)amino]butyl]-2,2,2-trifluoroacetamide has a molecular weight of 464.36 g/mol, XLogP of 2.55, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-1,4-diphenyl-4-[(2,2,2-trifluoroacetyl)amino]butyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 133064023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).