N,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide

C32H34F2N2O6 — CID 11956561

IUPACN,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccc(F)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1C[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C32H34F2N2O6/c1-18(2)28-27(32(42)35-23-14-12-22(34)13-15-23)26(19-6-4-3-5-7-19)29(20-8-10-21(33)11-9-20)36(28)16-24(38)30(40)31(41)25(39)17-37/h3-15,18,24-25,30-31,37-41H,16-17H2,1-2H3,(H,35,42)/t24-,25-,30+,31+/m0/s1
InChIKeyBYONMSQIXVTNSM-NZWZHHCMSA-N
MW580.63 g/mol
LogP3.91
Rot. Bonds11

About N,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide

N,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide (PubChem CID 11956561) has the molecular formula C32H34F2N2O6 and a molecular weight of 580.63 g/mol. Its IUPAC name is N,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide
PubChem CID11956561
Molecular FormulaC32H34F2N2O6
Molecular Weight580.63 g/mol
Exact Mass580.24
IUPAC NameN,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide
SMILESCC(C)c1c(C(=O)Nc2ccc(F)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1C[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO
InChIInChI=1S/C32H34F2N2O6/c1-18(2)28-27(32(42)35-23-14-12-22(34)13-15-23)26(19-6-4-3-5-7-19)29(20-8-10-21(33)11-9-20)36(28)16-24(38)30(40)31(41)25(39)17-37/h3-15,18,24-25,30-31,37-41H,16-17H2,1-2H3,(H,35,42)/t24-,25-,30+,31+/m0/s1
InChIKeyBYONMSQIXVTNSM-NZWZHHCMSA-N
XLogP3.91
TPSA135.18 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.63
LogP ≤ 53.91
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze N,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide with MolForge

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Related Compounds

5-(4-fluorophenyl)-1-pentyl-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 16751805
1-[(3R,4R)-4-fluoro-3-hydroxy-5-oxopentyl]-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 102533789
1-(4-aminobutyl)-5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 11956447
5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1-[(3R)-3,5,8,8-tetrahydroxyoctyl]pyrrole-3-carboxamide
CID 142058881
(3R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
CID 21029434
(5R)-7-[3-(4-fluorophenyl)-2-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-oxoheptanoic acid
CID 102459035
azanium 7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
CID 73059202
(3S,5S)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-2,3,5-trihydroxyheptanoic acid;dihydrate
CID 140538435
5-(4-fluorophenyl)-N,4-diphenyl-2-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 11956451
5-(4-fluorophenyl)-1-[(3S)-3-hydroxyhex-5-enyl]-N,4-diphenyl-2-propan-2-ylpyrrole-3-carboxamide
CID 58708289
(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;trihydrate
CID 66713564
calcium;bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate);(2R)-propane-1,2-diol
CID 51041360

Frequently Asked Questions

What is the IUPAC name of N,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide (CID 11956561) is N,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide is CC(C)c1c(C(=O)Nc2ccc(F)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1C[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.
What is the InChIKey of N,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is BYONMSQIXVTNSM-NZWZHHCMSA-N. The full InChI is InChI=1S/C32H34F2N2O6/c1-18(2)28-27(32(42)35-23-14-12-22(34)13-15-23)26(19-6-4-3-5-7-19)29(20-8-10-21(33)11-9-20)36(28)16-24(38)30(40)31(41)25(39)17-37/h3-15,18,24-25,30-31,37-41H,16-17H2,1-2H3,(H,35,42)/t24-,25-,30+,31+/m0/s1.
What are the key properties of N,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide?
N,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 580.63 g/mol, XLogP of 3.91, 11 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-bis(4-fluorophenyl)-1-[(2S,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl]-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 11956561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).