2-[4-[(5-aminoindol-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide

C38H30F12N4O3 — CID 160656897

IUPAC2-[4-[(5-aminoindol-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(ccn2Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1.Nc1ccc2c(ccn2Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1
InChIInChI=1S/C20H16F6N2O2.C18H14F6N2O/c1-12(29)27-16-6-7-17-14(10-16)8-9-28(17)11-13-2-4-15(5-3-13)18(30,19(21,22)23)20(24,25)26;19-17(20,21)16(27,18(22,23)24)13-3-1-11(2-4-13)10-26-8-7-12-9-14(25)5-6-15(12)26/h2-10,30H,11H2,1H3,(H,27,29);1-9,27H,10,25H2
InChIKeyRLEAGIPOISJCGQ-UHFFFAOYSA-N
MW818.66 g/mol
LogP9.54
Rot. Bonds7

About 2-[4-[(5-aminoindol-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide

2-[4-[(5-aminoindol-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide (PubChem CID 160656897) has the molecular formula C38H30F12N4O3 and a molecular weight of 818.66 g/mol. Its IUPAC name is 2-[4-[(5-aminoindol-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(5-aminoindol-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide
PubChem CID160656897
Molecular FormulaC38H30F12N4O3
Molecular Weight818.66 g/mol
Exact Mass818.21
IUPAC Name2-[4-[(5-aminoindol-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2c(ccn2Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1.Nc1ccc2c(ccn2Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1
InChIInChI=1S/C20H16F6N2O2.C18H14F6N2O/c1-12(29)27-16-6-7-17-14(10-16)8-9-28(17)11-13-2-4-15(5-3-13)18(30,19(21,22)23)20(24,25)26;19-17(20,21)16(27,18(22,23)24)13-3-1-11(2-4-13)10-26-8-7-12-9-14(25)5-6-15(12)26/h2-10,30H,11H2,1H3,(H,27,29);1-9,27H,10,25H2
InChIKeyRLEAGIPOISJCGQ-UHFFFAOYSA-N
XLogP9.54
TPSA105.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.66
LogP ≤ 59.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk_indol_A(1)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[4-[(5-aminoindol-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide with MolForge

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Related Compounds

3-[[6-[1-[(3-Acetamidophenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 145998992
1,1,1,3,3,3-hexafluoro-2-[4-[4-[[4-(1H-indol-6-ylmethyl)piperazin-1-yl]methyl]phenyl]phenyl]propan-2-ol
CID 52921718
1-Benzyl-3-[1,1,1-trifluoro-2-hydroxy-3-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propan-2-yl]indole-6-carbonitrile
CID 69192026
1-benzyl-3-[1,1,1-trifluoro-2-hydroxy-5-(3-propyl-6,7-dihydro-1H-indol-2-yl)pentan-2-yl]indole-6-carbonitrile
CID 71090652
1,1,1-trifluoro-2-[1-(4-fluorophenyl)-1H-isoindol-5-yl]-3-(6-methylindol-1-yl)propan-2-ol
CID 71213194
1,1,1-trifluoro-2-[1-(4-fluorophenyl)-1H-isoindol-5-yl]-3-(4-methylindol-1-yl)propan-2-ol
CID 71213260
N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide
CID 71812127
N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]-2-methoxyacetamide
CID 71812128
N-[1-[[4-(trifluoromethoxymethyl)phenyl]methyl]indol-5-yl]acetamide
CID 71812158
2-(4-((4-(5-Amino-1H-indol-1-yl)piperidin-1-yl)methyl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 86671004
3-(5-aminoindol-1-yl)-1,1,1-trifluoro-2-[1-(4-fluorophenyl)-1H-isoindol-5-yl]propan-2-ol
CID 89376340
N-[1-[[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide
CID 90066649

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-aminoindol-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide?
The IUPAC name of 2-[4-[(5-aminoindol-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide (CID 160656897) is 2-[4-[(5-aminoindol-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide.
What is the SMILES notation for 2-[4-[(5-aminoindol-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide?
The canonical SMILES for 2-[4-[(5-aminoindol-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide is CC(=O)Nc1ccc2c(ccn2Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1.Nc1ccc2c(ccn2Cc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)c1.
What is the InChIKey of 2-[4-[(5-aminoindol-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide?
The InChIKey is RLEAGIPOISJCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N2O2.C18H14F6N2O/c1-12(29)27-16-6-7-17-14(10-16)8-9-28(17)11-13-2-4-15(5-3-13)18(30,19(21,22)23)20(24,25)26;19-17(20,21)16(27,18(22,23)24)13-3-1-11(2-4-13)10-26-8-7-12-9-14(25)5-6-15(12)26/h2-10,30H,11H2,1H3,(H,27,29);1-9,27H,10,25H2.
What are the key properties of 2-[4-[(5-aminoindol-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide?
2-[4-[(5-aminoindol-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide has a molecular weight of 818.66 g/mol, XLogP of 9.54, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-aminoindol-1-yl)methyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;N-[1-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methyl]indol-5-yl]acetamide is sourced from PubChem (CID 160656897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).