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

C18H18F2N2O3 — CID 59156532

IUPAC2,6-difluoro-N-[5-[2-(oxan-4-yl)acetyl]-2H-pyrrol-4-yl]benzamide
SMILESO=C(CC1CCOCC1)C1=NCC=C1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C18H18F2N2O3/c19-12-2-1-3-13(20)16(12)18(24)22-14-4-7-21-17(14)15(23)10-11-5-8-25-9-6-11/h1-4,11H,5-10H2,(H,22,24)
InChIKeyVSKIIJZHACRCOP-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.42
Rot. Bonds5

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

2,6-difluoro-N-[5-[2-(oxan-4-yl)acetyl]-2H-pyrrol-4-yl]benzamide (PubChem CID 59156532) has the molecular formula C18H18F2N2O3 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[2-(oxan-4-yl)acetyl]-2H-pyrrol-4-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[2-(oxan-4-yl)acetyl]-2H-pyrrol-4-yl]benzamide
PubChem CID59156532
Molecular FormulaC18H18F2N2O3
Molecular Weight348.35 g/mol
Exact Mass348.13
IUPAC Name2,6-difluoro-N-[5-[2-(oxan-4-yl)acetyl]-2H-pyrrol-4-yl]benzamide
SMILESO=C(CC1CCOCC1)C1=NCC=C1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C18H18F2N2O3/c19-12-2-1-3-13(20)16(12)18(24)22-14-4-7-21-17(14)15(23)10-11-5-8-25-9-6-11/h1-4,11H,5-10H2,(H,22,24)
InChIKeyVSKIIJZHACRCOP-UHFFFAOYSA-N
XLogP2.42
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.42
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
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
N-[5-(2-cyclohexylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 59156534
2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide
CID 59156538
4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide
CID 59156543
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-[2-(oxan-4-yl)acetyl]-2H-pyrrol-4-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[2-(oxan-4-yl)acetyl]-2H-pyrrol-4-yl]benzamide (CID 59156532) is 2,6-difluoro-N-[5-[2-(oxan-4-yl)acetyl]-2H-pyrrol-4-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[2-(oxan-4-yl)acetyl]-2H-pyrrol-4-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[2-(oxan-4-yl)acetyl]-2H-pyrrol-4-yl]benzamide is O=C(CC1CCOCC1)C1=NCC=C1NC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[5-[2-(oxan-4-yl)acetyl]-2H-pyrrol-4-yl]benzamide?
The InChIKey is VSKIIJZHACRCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O3/c19-12-2-1-3-13(20)16(12)18(24)22-14-4-7-21-17(14)15(23)10-11-5-8-25-9-6-11/h1-4,11H,5-10H2,(H,22,24).
What are the key properties of 2,6-difluoro-N-[5-[2-(oxan-4-yl)acetyl]-2H-pyrrol-4-yl]benzamide?
2,6-difluoro-N-[5-[2-(oxan-4-yl)acetyl]-2H-pyrrol-4-yl]benzamide has a molecular weight of 348.35 g/mol, XLogP of 2.42, 5 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-[2-(oxan-4-yl)acetyl]-2H-pyrrol-4-yl]benzamide is sourced from PubChem (CID 59156532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).