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

C20H15F3N2O2 — CID 58091118

IUPAC2,6-difluoro-N-[5-[2-(4-fluorophenyl)acetyl]-3-methyl-2H-pyrrol-4-yl]benzamide
SMILESCC1=C(NC(=O)c2c(F)cccc2F)C(C(=O)Cc2ccc(F)cc2)=NC1
InChIInChI=1S/C20H15F3N2O2/c1-11-10-24-19(16(26)9-12-5-7-13(21)8-6-12)18(11)25-20(27)17-14(22)3-2-4-15(17)23/h2-8H,9-10H2,1H3,(H,25,27)
InChIKeyUXQCFAXFVZIDRU-UHFFFAOYSA-N
MW372.35 g/mol
LogP3.37
Rot. Bonds5

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

2,6-difluoro-N-[5-[2-(4-fluorophenyl)acetyl]-3-methyl-2H-pyrrol-4-yl]benzamide (PubChem CID 58091118) has the molecular formula C20H15F3N2O2 and a molecular weight of 372.35 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[2-(4-fluorophenyl)acetyl]-3-methyl-2H-pyrrol-4-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[2-(4-fluorophenyl)acetyl]-3-methyl-2H-pyrrol-4-yl]benzamide
PubChem CID58091118
Molecular FormulaC20H15F3N2O2
Molecular Weight372.35 g/mol
Exact Mass372.11
IUPAC Name2,6-difluoro-N-[5-[2-(4-fluorophenyl)acetyl]-3-methyl-2H-pyrrol-4-yl]benzamide
SMILESCC1=C(NC(=O)c2c(F)cccc2F)C(C(=O)Cc2ccc(F)cc2)=NC1
InChIInChI=1S/C20H15F3N2O2/c1-11-10-24-19(16(26)9-12-5-7-13(21)8-6-12)18(11)25-20(27)17-14(22)3-2-4-15(17)23/h2-8H,9-10H2,1H3,(H,25,27)
InChIKeyUXQCFAXFVZIDRU-UHFFFAOYSA-N
XLogP3.37
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1,3-bis(4-fluorophenyl)-3-oxopropyl]acetamide
CID 44561094
2-amino-3-(4-fluorobenzoyl)-5H-indolizin-4-ium-1-carboxamide
CID 163410081
N-tert-butyl-2-diazo-N-[(4-fluorophenyl)methyl]-3-oxo-3-phenylpropanamide
CID 154709842
N-[(Z)-3-(4-fluorophenyl)-3-oxo-1-phenylprop-1-enyl]acetamide
CID 176436104
N-[(Z)-3-(3-fluorophenyl)-3-oxo-1-phenylprop-1-enyl]acetamide
CID 176436107
N-[(Z)-3-(3,4-difluorophenyl)-3-oxo-1-phenylprop-1-enyl]acetamide
CID 176436108
N-[(Z)-1-(4-fluorophenyl)-3-oxo-3-phenylprop-1-enyl]acetamide
CID 176436111
N-[1-(4-fluorophenyl)-2-propan-2-yliminopropyl]benzamide
CID 18607993
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

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[2-(4-fluorophenyl)acetyl]-3-methyl-2H-pyrrol-4-yl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[2-(4-fluorophenyl)acetyl]-3-methyl-2H-pyrrol-4-yl]benzamide (CID 58091118) is 2,6-difluoro-N-[5-[2-(4-fluorophenyl)acetyl]-3-methyl-2H-pyrrol-4-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[2-(4-fluorophenyl)acetyl]-3-methyl-2H-pyrrol-4-yl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[2-(4-fluorophenyl)acetyl]-3-methyl-2H-pyrrol-4-yl]benzamide is CC1=C(NC(=O)c2c(F)cccc2F)C(C(=O)Cc2ccc(F)cc2)=NC1.
What is the InChIKey of 2,6-difluoro-N-[5-[2-(4-fluorophenyl)acetyl]-3-methyl-2H-pyrrol-4-yl]benzamide?
The InChIKey is UXQCFAXFVZIDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O2/c1-11-10-24-19(16(26)9-12-5-7-13(21)8-6-12)18(11)25-20(27)17-14(22)3-2-4-15(17)23/h2-8H,9-10H2,1H3,(H,25,27).
What are the key properties of 2,6-difluoro-N-[5-[2-(4-fluorophenyl)acetyl]-3-methyl-2H-pyrrol-4-yl]benzamide?
2,6-difluoro-N-[5-[2-(4-fluorophenyl)acetyl]-3-methyl-2H-pyrrol-4-yl]benzamide has a molecular weight of 372.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[2-(4-fluorophenyl)acetyl]-3-methyl-2H-pyrrol-4-yl]benzamide is sourced from PubChem (CID 58091118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).