2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide

C19H20F2N2O3 — CID 59156538

IUPAC2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide
SMILESO=C(CCC1CCOCC1)C1=NCC=C1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C19H20F2N2O3/c20-13-2-1-3-14(21)17(13)19(25)23-15-6-9-22-18(15)16(24)5-4-12-7-10-26-11-8-12/h1-3,6,12H,4-5,7-11H2,(H,23,25)
InChIKeySOIBFGBDOKWSQV-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.81
Rot. Bonds6

About 2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide

2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide (PubChem CID 59156538) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide
PubChem CID59156538
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Name2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide
SMILESO=C(CCC1CCOCC1)C1=NCC=C1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C19H20F2N2O3/c20-13-2-1-3-14(21)17(13)19(25)23-15-6-9-22-18(15)16(24)5-4-12-7-10-26-11-8-12/h1-3,6,12H,4-5,7-11H2,(H,23,25)
InChIKeySOIBFGBDOKWSQV-UHFFFAOYSA-N
XLogP2.81
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 58091066
2,6-difluoro-N-[5-[2-[3-(hydroxymethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide
CID 58091075
ethyl 4-[2-[4-[(2,6-difluorobenzoyl)amino]-2H-pyrrol-5-yl]-2-oxoethyl]cyclohexane-1-carboxylate
CID 58091084
2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide
CID 58091087
2,6-difluoro-N-[5-[2-[3-(morpholin-4-ylmethyl)phenyl]acetyl]-2H-pyrrol-4-yl]benzamide
CID 58091103
2,6-difluoro-N-[5-[2-(4-fluorophenyl)acetyl]-3-methyl-2H-pyrrol-4-yl]benzamide
CID 58091118
N-[5-(3-cyclopropylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 58091131
2,6-difluoro-N-[5-[2-(oxan-4-yl)acetyl]-2H-pyrrol-4-yl]benzamide
CID 59156532
N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 59156534
N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 59156549
4-[2-[4-[(2,6-difluorobenzoyl)amino]-2H-pyrrol-5-yl]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 68191953
2,6-difluoro-N-[(E)-4-methylimino-5-(oxan-4-ylmethylamino)-5-oxopent-2-en-3-yl]benzamide
CID 88276010

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide (CID 59156538) is 2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide is O=C(CCC1CCOCC1)C1=NCC=C1NC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide?
The InChIKey is SOIBFGBDOKWSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c20-13-2-1-3-14(21)17(13)19(25)23-15-6-9-22-18(15)16(24)5-4-12-7-10-26-11-8-12/h1-3,6,12H,4-5,7-11H2,(H,23,25).
What are the key properties of 2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide?
2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide has a molecular weight of 362.38 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide is sourced from PubChem (CID 59156538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).