2-fluoro-N-[5-[2-(4-fluorophenyl)acetyl]-2H-pyrrol-4-yl]-6-hydroxybenzamide

C19H14F2N2O3 — CID 58091064

IUPAC2-fluoro-N-[5-[2-(4-fluorophenyl)acetyl]-2H-pyrrol-4-yl]-6-hydroxybenzamide
SMILESO=C(Cc1ccc(F)cc1)C1=NCC=C1NC(=O)c1c(O)cccc1F
InChIInChI=1S/C19H14F2N2O3/c20-12-6-4-11(5-7-12)10-16(25)18-14(8-9-22-18)23-19(26)17-13(21)2-1-3-15(17)24/h1-8,24H,9-10H2,(H,23,26)
InChIKeyZTYOWGNORWALFK-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.55
Rot. Bonds5

About 2-fluoro-N-[5-[2-(4-fluorophenyl)acetyl]-2H-pyrrol-4-yl]-6-hydroxybenzamide

2-fluoro-N-[5-[2-(4-fluorophenyl)acetyl]-2H-pyrrol-4-yl]-6-hydroxybenzamide (PubChem CID 58091064) has the molecular formula C19H14F2N2O3 and a molecular weight of 356.33 g/mol. Its IUPAC name is 2-fluoro-N-[5-[2-(4-fluorophenyl)acetyl]-2H-pyrrol-4-yl]-6-hydroxybenzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[2-(4-fluorophenyl)acetyl]-2H-pyrrol-4-yl]-6-hydroxybenzamide
PubChem CID58091064
Molecular FormulaC19H14F2N2O3
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Name2-fluoro-N-[5-[2-(4-fluorophenyl)acetyl]-2H-pyrrol-4-yl]-6-hydroxybenzamide
SMILESO=C(Cc1ccc(F)cc1)C1=NCC=C1NC(=O)c1c(O)cccc1F
InChIInChI=1S/C19H14F2N2O3/c20-12-6-4-11(5-7-12)10-16(25)18-14(8-9-22-18)23-19(26)17-13(21)2-1-3-15(17)24/h1-8,24H,9-10H2,(H,23,26)
InChIKeyZTYOWGNORWALFK-UHFFFAOYSA-N
XLogP2.55
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Hydroxy-phenyl)-(5-hydroxy-3-phenyl-5-trifluoromethyl-4,5-dihydro-pyrazol-1-y
CID 3147071
N-[(4-fluorophenyl)methyl]-2-hydroxy-benzamide
CID 8439139
N-[(5S)-6-amino-5-[(2-fluoro-6-hydroxybenzoyl)amino]hexyl]-2-fluoro-6-hydroxybenzamide
CID 155513687
2-fluoro-N-[4-[(5S)-2-(2-fluoro-6-hydroxyphenyl)-4,5-dihydro-1H-imidazol-5-yl]butyl]-6-hydroxybenzamide
CID 155524240
2,6-difluoro-N-[3-[(2-hydroxyphenyl)methylideneamino]propyl]benzamide
CID 2803937
N-(4-fluorobenzoyl)-2-hydroxy-benzamide
CID 2814500
2,4-difluoro-6-hydroxy-N-(1-phenyl-2-pyrrolidin-1-ylethyl)benzamide
CID 71883348
N-[4-[(5-fluoro-2-hydroxyphenyl)methylideneamino]butyl]-2-hydroxybenzamide
CID 136065971
2-hydroxy-N-[6-[(2-hydroxyphenyl)methylideneamino]hexyl]benzamide
CID 136065985
N-[6-[(5-fluoro-2-hydroxyphenyl)methylideneamino]hexyl]-2-hydroxybenzamide
CID 136065986
N-[3-[(5-fluoro-2-hydroxyphenyl)methylideneamino]propyl]-2-hydroxybenzamide
CID 136065989
N-[2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]ethyl]-2-hydroxybenzamide
CID 136066002

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[2-(4-fluorophenyl)acetyl]-2H-pyrrol-4-yl]-6-hydroxybenzamide?
The IUPAC name of 2-fluoro-N-[5-[2-(4-fluorophenyl)acetyl]-2H-pyrrol-4-yl]-6-hydroxybenzamide (CID 58091064) is 2-fluoro-N-[5-[2-(4-fluorophenyl)acetyl]-2H-pyrrol-4-yl]-6-hydroxybenzamide.
What is the SMILES notation for 2-fluoro-N-[5-[2-(4-fluorophenyl)acetyl]-2H-pyrrol-4-yl]-6-hydroxybenzamide?
The canonical SMILES for 2-fluoro-N-[5-[2-(4-fluorophenyl)acetyl]-2H-pyrrol-4-yl]-6-hydroxybenzamide is O=C(Cc1ccc(F)cc1)C1=NCC=C1NC(=O)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-N-[5-[2-(4-fluorophenyl)acetyl]-2H-pyrrol-4-yl]-6-hydroxybenzamide?
The InChIKey is ZTYOWGNORWALFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O3/c20-12-6-4-11(5-7-12)10-16(25)18-14(8-9-22-18)23-19(26)17-13(21)2-1-3-15(17)24/h1-8,24H,9-10H2,(H,23,26).
What are the key properties of 2-fluoro-N-[5-[2-(4-fluorophenyl)acetyl]-2H-pyrrol-4-yl]-6-hydroxybenzamide?
2-fluoro-N-[5-[2-(4-fluorophenyl)acetyl]-2H-pyrrol-4-yl]-6-hydroxybenzamide has a molecular weight of 356.33 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[2-(4-fluorophenyl)acetyl]-2H-pyrrol-4-yl]-6-hydroxybenzamide is sourced from PubChem (CID 58091064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).