3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide

C22H24F2N2O2 — CID 10385470

IUPAC3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide
SMILESCN(C)C(=O)N1CC(c2cc(F)ccc2F)=CC1(CCCO)c1ccccc1
InChIInChI=1S/C22H24F2N2O2/c1-25(2)21(28)26-15-16(19-13-18(23)9-10-20(19)24)14-22(26,11-6-12-27)17-7-4-3-5-8-17/h3-5,7-10,13-14,27H,6,11-12,15H2,1-2H3
InChIKeyUQRBQEPJTUGDOD-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.01
Rot. Bonds5

About 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide

3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide (PubChem CID 10385470) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide
PubChem CID10385470
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide
SMILESCN(C)C(=O)N1CC(c2cc(F)ccc2F)=CC1(CCCO)c1ccccc1
InChIInChI=1S/C22H24F2N2O2/c1-25(2)21(28)26-15-16(19-13-18(23)9-10-20(19)24)14-22(26,11-6-12-27)17-7-4-3-5-8-17/h3-5,7-10,13-14,27H,6,11-12,15H2,1-2H3
InChIKeyUQRBQEPJTUGDOD-UHFFFAOYSA-N
XLogP4.01
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide?
The IUPAC name of 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide (CID 10385470) is 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide is CN(C)C(=O)N1CC(c2cc(F)ccc2F)=CC1(CCCO)c1ccccc1.
What is the InChIKey of 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide?
The InChIKey is UQRBQEPJTUGDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c1-25(2)21(28)26-15-16(19-13-18(23)9-10-20(19)24)14-22(26,11-6-12-27)17-7-4-3-5-8-17/h3-5,7-10,13-14,27H,6,11-12,15H2,1-2H3.
What are the key properties of 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide?
3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-5-(3-hydroxypropyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide is sourced from PubChem (CID 10385470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).