2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-N,N-dimethyl-3-(trifluoromethyl)benzamide

C27H23F3N2O2 — CID 139248058

IUPAC2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-N,N-dimethyl-3-(trifluoromethyl)benzamide
SMILESCN(C)C(=O)c1cccc(C(F)(F)F)c1-n1cccc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23F3N2O2/c1-31(2)25(33)21-15-9-16-22(27(28,29)30)24(21)32-18-10-17-23(32)26(34,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-18,34H,1-2H3
InChIKeySOSPPSKZTQOVDY-UHFFFAOYSA-N
MW464.49 g/mol
LogP5.48
Rot. Bonds5

About 2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-N,N-dimethyl-3-(trifluoromethyl)benzamide

2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-N,N-dimethyl-3-(trifluoromethyl)benzamide (PubChem CID 139248058) has the molecular formula C27H23F3N2O2 and a molecular weight of 464.49 g/mol. Its IUPAC name is 2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-N,N-dimethyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-N,N-dimethyl-3-(trifluoromethyl)benzamide
PubChem CID139248058
Molecular FormulaC27H23F3N2O2
Molecular Weight464.49 g/mol
Exact Mass464.17
IUPAC Name2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-N,N-dimethyl-3-(trifluoromethyl)benzamide
SMILESCN(C)C(=O)c1cccc(C(F)(F)F)c1-n1cccc1C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23F3N2O2/c1-31(2)25(33)21-15-9-16-22(27(28,29)30)24(21)32-18-10-17-23(32)26(34,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-18,34H,1-2H3
InChIKeySOSPPSKZTQOVDY-UHFFFAOYSA-N
XLogP5.48
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-N,N-dimethyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-N,N-dimethyl-3-(trifluoromethyl)benzamide (CID 139248058) is 2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-N,N-dimethyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-N,N-dimethyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-N,N-dimethyl-3-(trifluoromethyl)benzamide is CN(C)C(=O)c1cccc(C(F)(F)F)c1-n1cccc1C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-N,N-dimethyl-3-(trifluoromethyl)benzamide?
The InChIKey is SOSPPSKZTQOVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N2O2/c1-31(2)25(33)21-15-9-16-22(27(28,29)30)24(21)32-18-10-17-23(32)26(34,19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-18,34H,1-2H3.
What are the key properties of 2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-N,N-dimethyl-3-(trifluoromethyl)benzamide?
2-[2-[hydroxy(diphenyl)methyl]pyrrol-1-yl]-N,N-dimethyl-3-(trifluoromethyl)benzamide has a molecular weight of 464.49 g/mol, XLogP of 5.48, 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]-N,N-dimethyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 139248058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).