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

C18H19F2N3O2 — CID 58091087

IUPAC2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide
SMILESO=C(CC1CCNCC1)C1=NCC=C1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C18H19F2N3O2/c19-12-2-1-3-13(20)16(12)18(25)23-14-6-9-22-17(14)15(24)10-11-4-7-21-8-5-11/h1-3,6,11,21H,4-5,7-10H2,(H,23,25)
InChIKeyPPGWSIUMSKSAJS-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.99
Rot. Bonds5

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

2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide (PubChem CID 58091087) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide
PubChem CID58091087
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide
SMILESO=C(CC1CCNCC1)C1=NCC=C1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C18H19F2N3O2/c19-12-2-1-3-13(20)16(12)18(25)23-14-6-9-22-17(14)15(24)10-11-4-7-21-8-5-11/h1-3,6,11,21H,4-5,7-10H2,(H,23,25)
InChIKeyPPGWSIUMSKSAJS-UHFFFAOYSA-N
XLogP1.99
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,6-difluorobenzamide
CID 16895608
N-cyclopentyl-1-(3,4-difluorobenzoyl)piperidine-3-carboxamide
CID 50803880
2,5-difluoro-N-[(2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl)methyl]benzamide
CID 91920210
N-[[(4aS)-2-oxo-3,4,5,6-tetrahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl]-4-fluorobenzamide
CID 164632744
N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 58091066
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-(4-tert-butylcyclohexyl)-4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide
CID 58094697
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
2,6-difluoro-N-[5-[3-(oxan-4-yl)propanoyl]-2H-pyrrol-4-yl]benzamide
CID 59156538

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide (CID 58091087) is 2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide is O=C(CC1CCNCC1)C1=NCC=C1NC(=O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide?
The InChIKey is PPGWSIUMSKSAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c19-12-2-1-3-13(20)16(12)18(25)23-14-6-9-22-17(14)15(24)10-11-4-7-21-8-5-11/h1-3,6,11,21H,4-5,7-10H2,(H,23,25).
What are the key properties of 2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide?
2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide has a molecular weight of 347.37 g/mol, XLogP of 1.99, 5 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-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide is sourced from PubChem (CID 58091087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).