1-N-[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-3-N-[5-[2-[3-[[4-(4-acetylphenoxy)benzoyl]amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide

C55H38F12N4O10 — CID 20822526

IUPAC1-N-[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-3-N-[5-[2-[3-[[4-(4-acetylphenoxy)benzoyl]amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide
SMILESCC(=O)Nc1cc(C(c2ccc(O)c(NC(=O)c3cccc(C(=O)Nc4cc(C(c5ccc(O)c(NC(=O)c6ccc(Oc7ccc(C(C)=O)cc7)cc6)c5)(C(F)(F)F)C(F)(F)F)ccc4O)c3)c2)(C(F)(F)F)C(F)(F)F)ccc1O
InChIInChI=1S/C55H38F12N4O10/c1-27(72)29-6-14-37(15-7-29)81-38-16-8-30(9-17-38)47(78)69-40-24-34(11-19-44(40)75)51(54(62,63)64,55(65,66)67)36-13-21-46(77)42(26-36)71-49(80)32-5-3-4-31(22-32)48(79)70-41-25-35(12-20-45(41)76)50(52(56,57)58,53(59,60)61)33-10-18-43(74)39(23-33)68-28(2)73/h3-26,74-77H,1-2H3,(H,68,73)(H,69,78)(H,70,79)(H,71,80)
InChIKeyNRFUWYBBMOAOHJ-UHFFFAOYSA-N
MW1142.90 g/mol
LogP13.04
Rot. Bonds14

About 1-N-[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-3-N-[5-[2-[3-[[4-(4-acetylphenoxy)benzoyl]amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide

1-N-[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-3-N-[5-[2-[3-[[4-(4-acetylphenoxy)benzoyl]amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide (PubChem CID 20822526) has the molecular formula C55H38F12N4O10 and a molecular weight of 1142.90 g/mol. Its IUPAC name is 1-N-[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-3-N-[5-[2-[3-[[4-(4-acetylphenoxy)benzoyl]amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-3-N-[5-[2-[3-[[4-(4-acetylphenoxy)benzoyl]amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide
PubChem CID20822526
Molecular FormulaC55H38F12N4O10
Molecular Weight1142.90 g/mol
Exact Mass1142.24
IUPAC Name1-N-[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-3-N-[5-[2-[3-[[4-(4-acetylphenoxy)benzoyl]amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide
SMILESCC(=O)Nc1cc(C(c2ccc(O)c(NC(=O)c3cccc(C(=O)Nc4cc(C(c5ccc(O)c(NC(=O)c6ccc(Oc7ccc(C(C)=O)cc7)cc6)c5)(C(F)(F)F)C(F)(F)F)ccc4O)c3)c2)(C(F)(F)F)C(F)(F)F)ccc1O
InChIInChI=1S/C55H38F12N4O10/c1-27(72)29-6-14-37(15-7-29)81-38-16-8-30(9-17-38)47(78)69-40-24-34(11-19-44(40)75)51(54(62,63)64,55(65,66)67)36-13-21-46(77)42(26-36)71-49(80)32-5-3-4-31(22-32)48(79)70-41-25-35(12-20-45(41)76)50(52(56,57)58,53(59,60)61)33-10-18-43(74)39(23-33)68-28(2)73/h3-26,74-77H,1-2H3,(H,68,73)(H,69,78)(H,70,79)(H,71,80)
InChIKeyNRFUWYBBMOAOHJ-UHFFFAOYSA-N
XLogP13.04
TPSA223.62 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001142.90
LogP ≤ 513.04
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 1-N-[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-3-N-[5-[2-[3-[[4-(4-acetylphenoxy)benzoyl]amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide 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

3-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-N-(2-dimethylamino-ethyl)-4-hydroxy-benzamide
CID 16124789
3-[2-(4-Adamantan-1-yl-phenoxy)-acetylamino]-4-hydroxy-benzamide
CID 16124996
3-[2-(4-adamantan-1-yl-phenoxy)-acetylamino]-4-hydroxy-N,N-dimethyl-benzamide
CID 16124788
3-[(5-Acetyl-2-phenylmethoxyphenyl)carbamoyl]benzoic acid
CID 118626465
2,2-Bis(3-(3-aminobenzoylamino)-4-hydroxyphenyl)hexafluoropropane
CID 13008422
N,N'-(3,3'-Dimethoxy(1,1'-biphenyl)-4,4'-diyl)bis(3-amino-4-hydroxybenzamide)
CID 56842331
4-methoxy-N-{2-[4-(2-phenylpropan-2-yl)phenoxy]-5-(trifluoromethyl)phenyl}benzamide
CID 3412602
N-[2-(biphenyl-2-yloxy)-5-(trifluoromethyl)phenyl]-4-butoxybenzamide
CID 4235277
4-butoxy-N-[2-(4-cyclohexylphenoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 5295969
N,N'-[(Perfluoropropane-2,2-diyl)bis(6-hydroxy-3,1-phenylene)]bis(1,3-dioxo-1,3-dihydroisobenzofuran-5-carboxamide)
CID 13008421
N,N'-((Perfluoropropane-2,2-diyl)bis(6-hydroxy-3,1-phenylene))bis(4-aminobenzamide)
CID 13008425
N-[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 18739359

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-3-N-[5-[2-[3-[[4-(4-acetylphenoxy)benzoyl]amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-3-N-[5-[2-[3-[[4-(4-acetylphenoxy)benzoyl]amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide (CID 20822526) is 1-N-[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-3-N-[5-[2-[3-[[4-(4-acetylphenoxy)benzoyl]amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-3-N-[5-[2-[3-[[4-(4-acetylphenoxy)benzoyl]amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-3-N-[5-[2-[3-[[4-(4-acetylphenoxy)benzoyl]amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide is CC(=O)Nc1cc(C(c2ccc(O)c(NC(=O)c3cccc(C(=O)Nc4cc(C(c5ccc(O)c(NC(=O)c6ccc(Oc7ccc(C(C)=O)cc7)cc6)c5)(C(F)(F)F)C(F)(F)F)ccc4O)c3)c2)(C(F)(F)F)C(F)(F)F)ccc1O.
What is the InChIKey of 1-N-[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-3-N-[5-[2-[3-[[4-(4-acetylphenoxy)benzoyl]amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide?
The InChIKey is NRFUWYBBMOAOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38F12N4O10/c1-27(72)29-6-14-37(15-7-29)81-38-16-8-30(9-17-38)47(78)69-40-24-34(11-19-44(40)75)51(54(62,63)64,55(65,66)67)36-13-21-46(77)42(26-36)71-49(80)32-5-3-4-31(22-32)48(79)70-41-25-35(12-20-45(41)76)50(52(56,57)58,53(59,60)61)33-10-18-43(74)39(23-33)68-28(2)73/h3-26,74-77H,1-2H3,(H,68,73)(H,69,78)(H,70,79)(H,71,80).
What are the key properties of 1-N-[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-3-N-[5-[2-[3-[[4-(4-acetylphenoxy)benzoyl]amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide?
1-N-[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-3-N-[5-[2-[3-[[4-(4-acetylphenoxy)benzoyl]amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide has a molecular weight of 1142.90 g/mol, XLogP of 13.04, 14 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-[2-(3-acetamido-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-3-N-[5-[2-[3-[[4-(4-acetylphenoxy)benzoyl]amino]-4-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 20822526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).