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

C21H22F2N2O2 — CID 10384648

IUPAC3-(2,5-difluorophenyl)-5-(methoxymethyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide
SMILESCOCC1(c2ccccc2)C=C(c2cc(F)ccc2F)CN1C(=O)N(C)C
InChIInChI=1S/C21H22F2N2O2/c1-24(2)20(26)25-13-15(18-11-17(22)9-10-19(18)23)12-21(25,14-27-3)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3
InChIKeyOBRQGWCKCCUFFJ-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.89
Rot. Bonds4

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

3-(2,5-difluorophenyl)-5-(methoxymethyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide (PubChem CID 10384648) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-(methoxymethyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-5-(methoxymethyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide
PubChem CID10384648
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name3-(2,5-difluorophenyl)-5-(methoxymethyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide
SMILESCOCC1(c2ccccc2)C=C(c2cc(F)ccc2F)CN1C(=O)N(C)C
InChIInChI=1S/C21H22F2N2O2/c1-24(2)20(26)25-13-15(18-11-17(22)9-10-19(18)23)12-21(25,14-27-3)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3
InChIKeyOBRQGWCKCCUFFJ-UHFFFAOYSA-N
XLogP3.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-5-(methoxymethyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide?
The IUPAC name of 3-(2,5-difluorophenyl)-5-(methoxymethyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide (CID 10384648) is 3-(2,5-difluorophenyl)-5-(methoxymethyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide.
What is the SMILES notation for 3-(2,5-difluorophenyl)-5-(methoxymethyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide?
The canonical SMILES for 3-(2,5-difluorophenyl)-5-(methoxymethyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide is COCC1(c2ccccc2)C=C(c2cc(F)ccc2F)CN1C(=O)N(C)C.
What is the InChIKey of 3-(2,5-difluorophenyl)-5-(methoxymethyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide?
The InChIKey is OBRQGWCKCCUFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c1-24(2)20(26)25-13-15(18-11-17(22)9-10-19(18)23)12-21(25,14-27-3)16-7-5-4-6-8-16/h4-12H,13-14H2,1-3H3.
What are the key properties of 3-(2,5-difluorophenyl)-5-(methoxymethyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide?
3-(2,5-difluorophenyl)-5-(methoxymethyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide has a molecular weight of 372.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-5-(methoxymethyl)-N,N-dimethyl-5-phenyl-2H-pyrrole-1-carboxamide is sourced from PubChem (CID 10384648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).