2,4-difluoro-6-hydroxy-N-(2-pyrrol-1-ylethyl)benzamide

C13H12F2N2O2 — CID 71980541

IUPAC2,4-difluoro-6-hydroxy-N-(2-pyrrol-1-ylethyl)benzamide
SMILESO=C(NCCn1cccc1)c1c(O)cc(F)cc1F
InChIInChI=1S/C13H12F2N2O2/c14-9-7-10(15)12(11(18)8-9)13(19)16-3-6-17-4-1-2-5-17/h1-2,4-5,7-8,18H,3,6H2,(H,16,19)
InChIKeyUORQHRKTPJEFBJ-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.90
Rot. Bonds4

About 2,4-difluoro-6-hydroxy-N-(2-pyrrol-1-ylethyl)benzamide

2,4-difluoro-6-hydroxy-N-(2-pyrrol-1-ylethyl)benzamide (PubChem CID 71980541) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2,4-difluoro-6-hydroxy-N-(2-pyrrol-1-ylethyl)benzamide.

Molecular Properties

Compound Name2,4-difluoro-6-hydroxy-N-(2-pyrrol-1-ylethyl)benzamide
PubChem CID71980541
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2,4-difluoro-6-hydroxy-N-(2-pyrrol-1-ylethyl)benzamide
SMILESO=C(NCCn1cccc1)c1c(O)cc(F)cc1F
InChIInChI=1S/C13H12F2N2O2/c14-9-7-10(15)12(11(18)8-9)13(19)16-3-6-17-4-1-2-5-17/h1-2,4-5,7-8,18H,3,6H2,(H,16,19)
InChIKeyUORQHRKTPJEFBJ-UHFFFAOYSA-N
XLogP1.90
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-hydroxy-N-(2-pyrrol-1-ylethyl)benzamide?
The IUPAC name of 2,4-difluoro-6-hydroxy-N-(2-pyrrol-1-ylethyl)benzamide (CID 71980541) is 2,4-difluoro-6-hydroxy-N-(2-pyrrol-1-ylethyl)benzamide.
What is the SMILES notation for 2,4-difluoro-6-hydroxy-N-(2-pyrrol-1-ylethyl)benzamide?
The canonical SMILES for 2,4-difluoro-6-hydroxy-N-(2-pyrrol-1-ylethyl)benzamide is O=C(NCCn1cccc1)c1c(O)cc(F)cc1F.
What is the InChIKey of 2,4-difluoro-6-hydroxy-N-(2-pyrrol-1-ylethyl)benzamide?
The InChIKey is UORQHRKTPJEFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c14-9-7-10(15)12(11(18)8-9)13(19)16-3-6-17-4-1-2-5-17/h1-2,4-5,7-8,18H,3,6H2,(H,16,19).
What are the key properties of 2,4-difluoro-6-hydroxy-N-(2-pyrrol-1-ylethyl)benzamide?
2,4-difluoro-6-hydroxy-N-(2-pyrrol-1-ylethyl)benzamide has a molecular weight of 266.25 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-hydroxy-N-(2-pyrrol-1-ylethyl)benzamide is sourced from PubChem (CID 71980541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).