2,6-difluoro-N-[5-[2-[3-(hydroxymethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide

C20H16F2N2O3 — CID 58091075

IUPAC2,6-difluoro-N-[5-[2-[3-(hydroxymethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide
SMILESO=C(Cc1cccc(CO)c1)C1=NCC=C1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C20H16F2N2O3/c21-14-5-2-6-15(22)18(14)20(27)24-16-7-8-23-19(16)17(26)10-12-3-1-4-13(9-12)11-25/h1-7,9,25H,8,10-11H2,(H,24,27)
InChIKeyCSEFDYHUYNUBRF-UHFFFAOYSA-N
MW370.36 g/mol
LogP2.34
Rot. Bonds6

About 2,6-difluoro-N-[5-[2-[3-(hydroxymethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide

2,6-difluoro-N-[5-[2-[3-(hydroxymethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide (PubChem CID 58091075) has the molecular formula C20H16F2N2O3 and a molecular weight of 370.36 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[2-[3-(hydroxymethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[2-[3-(hydroxymethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide
PubChem CID58091075
Molecular FormulaC20H16F2N2O3
Molecular Weight370.36 g/mol
Exact Mass370.11
IUPAC Name2,6-difluoro-N-[5-[2-[3-(hydroxymethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide
SMILESO=C(Cc1cccc(CO)c1)C1=NCC=C1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C20H16F2N2O3/c21-14-5-2-6-15(22)18(14)20(27)24-16-7-8-23-19(16)17(26)10-12-3-1-4-13(9-12)11-25/h1-7,9,25H,8,10-11H2,(H,24,27)
InChIKeyCSEFDYHUYNUBRF-UHFFFAOYSA-N
XLogP2.34
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[5-[2-(4-fluorophenyl)acetyl]-2H-pyrrol-4-yl]-6-hydroxybenzamide
CID 58091064
2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide
CID 59156538
4-[2-[4-[(2,6-difluorobenzoyl)amino]-2H-pyrrol-5-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 68191953
2,6-difluoro-N-[3-(3-heptylphenyl)-3-hydroxypropyl]benzamide
CID 139654581
3-[2-[[2-[1-Amino-3-(4-fluorocyclohexa-1,5-dien-1-yl)-3-iminoprop-1-enyl]-3-fluorobenzoyl]amino]ethyl]benzoic acid
CID 173755624

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[2-[3-(hydroxymethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[2-[3-(hydroxymethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide (CID 58091075) is 2,6-difluoro-N-[5-[2-[3-(hydroxymethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[2-[3-(hydroxymethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[2-[3-(hydroxymethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide is O=C(Cc1cccc(CO)c1)C1=NCC=C1NC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[5-[2-[3-(hydroxymethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide?
The InChIKey is CSEFDYHUYNUBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O3/c21-14-5-2-6-15(22)18(14)20(27)24-16-7-8-23-19(16)17(26)10-12-3-1-4-13(9-12)11-25/h1-7,9,25H,8,10-11H2,(H,24,27).
What are the key properties of 2,6-difluoro-N-[5-[2-[3-(hydroxymethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide?
2,6-difluoro-N-[5-[2-[3-(hydroxymethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide has a molecular weight of 370.36 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[2-[3-(hydroxymethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide is sourced from PubChem (CID 58091075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).