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4,5-dichloro-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide

C14H12Cl2F2N2O2 — CID 111630221

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4,5-dichloro-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
SMILESCC(O)(CNC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccc(F)cc1F
InChIInChI=1S/C14H12Cl2F2N2O2/c1-14(22,8-3-2-7(17)4-10(8)18)6-19-13(21)11-5-9(15)12(16)20-11/h2-5,20,22H,6H2,1H3,(H,19,21)
InChIKeyLEBIUPWCKOXERZ-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.24
Rot. Bonds4

About 4,5-dichloro-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide

4,5-dichloro-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide (PubChem CID 111630221) has the molecular formula C14H12Cl2F2N2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 4,5-dichloro-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
PubChem CID111630221
Molecular FormulaC14H12Cl2F2N2O2
Molecular Weight349.16 g/mol
Exact Mass348.02
IUPAC Name4,5-dichloro-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
SMILESCC(O)(CNC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccc(F)cc1F
InChIInChI=1S/C14H12Cl2F2N2O2/c1-14(22,8-3-2-7(17)4-10(8)18)6-19-13(21)11-5-9(15)12(16)20-11/h2-5,20,22H,6H2,1H3,(H,19,21)
InChIKeyLEBIUPWCKOXERZ-UHFFFAOYSA-N
XLogP3.24
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide (CID 111630221) is 4,5-dichloro-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide is CC(O)(CNC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccc(F)cc1F.
What is the InChIKey of 4,5-dichloro-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide?
The InChIKey is LEBIUPWCKOXERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2F2N2O2/c1-14(22,8-3-2-7(17)4-10(8)18)6-19-13(21)11-5-9(15)12(16)20-11/h2-5,20,22H,6H2,1H3,(H,19,21).
What are the key properties of 4,5-dichloro-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide has a molecular weight of 349.16 g/mol, XLogP of 3.24, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 111630221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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