[2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-3-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone

C29H25F3N2O2 — CID 139248062

IUPAC[2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-3-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(C(F)(F)F)c1-n1cccc1C(O)(c1ccccc1)c1ccccc1)N1CCCC1
InChIInChI=1S/C29H25F3N2O2/c30-29(31,32)24-16-9-15-23(27(35)33-18-7-8-19-33)26(24)34-20-10-17-25(34)28(36,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,9-17,20,36H,7-8,18-19H2
InChIKeyDEDWNLAIXGZOGS-UHFFFAOYSA-N
MW490.53 g/mol
LogP6.02
Rot. Bonds5

About [2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-3-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone

[2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-3-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 139248062) has the molecular formula C29H25F3N2O2 and a molecular weight of 490.53 g/mol. Its IUPAC name is [2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-3-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-3-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID139248062
Molecular FormulaC29H25F3N2O2
Molecular Weight490.53 g/mol
Exact Mass490.19
IUPAC Name[2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-3-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(C(F)(F)F)c1-n1cccc1C(O)(c1ccccc1)c1ccccc1)N1CCCC1
InChIInChI=1S/C29H25F3N2O2/c30-29(31,32)24-16-9-15-23(27(35)33-18-7-8-19-33)26(24)34-20-10-17-25(34)28(36,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,9-17,20,36H,7-8,18-19H2
InChIKeyDEDWNLAIXGZOGS-UHFFFAOYSA-N
XLogP6.02
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.53
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-(1-(4-(trifluoromethyl)benzyl)-1H-indole-7-carboxamido)cyclopropyl)benzoic acid
CID 25003075
(S)-4-(1-(1-(4-(trifluoromethyl)benzyl)-1H-indole-7-carboxamido)ethyl)benzoic acid
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(S)-4-(1-(1-(3-(trifluoromethyl)benzyl)-1H-indole-7-carboxamido)ethyl)benzoic acid
CID 24765671
3-[[6-(1-Tert-butoxycarbonylindolin-6-yl)indol-1-yl]methyl]benzoic acid
CID 146001039
3-[(1-Acetylindole-3-carbonyl)amino]-5-[3-(trifluoromethyl)phenyl]benzoic acid
CID 141736379
US10239838, Example 51
CID 121414006
{(2S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl}-1-pyrrolidinyl}[4-(1-pyrrolidinyl)-3-pyridinyl]methanone
CID 23624432
[1-[(4-Fluorophenyl)methyl]indol-3-yl]-[2-(1-hydroxyvinyl)pyrrolidin-1-yl]methanone
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CID 122380267
[1-[2-[(Dibutylamino)methyl]-6-(trifluoromethyl)phenyl]pyrrol-2-yl]-diphenylmethanol
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[1-[2-[(Dimethylamino)methyl]-6-(trifluoromethyl)phenyl]pyrrol-2-yl]-diphenylmethanol
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2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-N,N-dimethyl-3-(trifluoromethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of [2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-3-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-3-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone (CID 139248062) is [2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-3-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-3-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-3-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1cccc(C(F)(F)F)c1-n1cccc1C(O)(c1ccccc1)c1ccccc1)N1CCCC1.
What is the InChIKey of [2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-3-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is DEDWNLAIXGZOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N2O2/c30-29(31,32)24-16-9-15-23(27(35)33-18-7-8-19-33)26(24)34-20-10-17-25(34)28(36,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-6,9-17,20,36H,7-8,18-19H2.
What are the key properties of [2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-3-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone?
[2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-3-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 490.53 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-3-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 139248062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).