4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide

C12H9F2N3O2 — CID 59156543

IUPAC4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide
SMILESNC(=O)C1=NCC=C1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H9F2N3O2/c13-6-2-1-3-7(14)9(6)12(19)17-8-4-5-16-10(8)11(15)18/h1-4H,5H2,(H2,15,18)(H,17,19)
InChIKeySENSHAOMGOLGEI-UHFFFAOYSA-N
MW265.22 g/mol
LogP0.52
Rot. Bonds3

About 4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide

4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide (PubChem CID 59156543) has the molecular formula C12H9F2N3O2 and a molecular weight of 265.22 g/mol. Its IUPAC name is 4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide
PubChem CID59156543
Molecular FormulaC12H9F2N3O2
Molecular Weight265.22 g/mol
Exact Mass265.07
IUPAC Name4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide
SMILESNC(=O)C1=NCC=C1NC(=O)c1c(F)cccc1F
InChIInChI=1S/C12H9F2N3O2/c13-6-2-1-3-7(14)9(6)12(19)17-8-4-5-16-10(8)11(15)18/h1-4H,5H2,(H2,15,18)(H,17,19)
InChIKeySENSHAOMGOLGEI-UHFFFAOYSA-N
XLogP0.52
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-difluoro-N-(6-oxo-1H-pyridin-3-yl)benzamide
CID 70686162
3-(2,6-Difluorobenzoyl)amino-epsilon-caprolactam
CID 19090381
4-Fluoro-N-(6-hydroxy-pyridin-3-yl)-benzamide
CID 22047767
N-(3-aminopropyl)-2,6-difluorobenzamide
CID 24709480
N-[5-(2-cyclopentylacetyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 58091066
2,6-difluoro-N-[5-(2-piperidin-4-ylacetyl)-2H-pyrrol-4-yl]benzamide
CID 58091087
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
N-[5-(3-cyclohexylpropanoyl)-2H-pyrrol-4-yl]-2,6-difluorobenzamide
CID 59156549

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide?
The IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide (CID 59156543) is 4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide?
The canonical SMILES for 4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide is NC(=O)C1=NCC=C1NC(=O)c1c(F)cccc1F.
What is the InChIKey of 4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide?
The InChIKey is SENSHAOMGOLGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2/c13-6-2-1-3-7(14)9(6)12(19)17-8-4-5-16-10(8)11(15)18/h1-4H,5H2,(H2,15,18)(H,17,19).
What are the key properties of 4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide?
4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide has a molecular weight of 265.22 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorobenzoyl)amino]-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 59156543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).