4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide

C20H14F2N2O2S — CID 97407190

IUPAC4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc2c(s1)CCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H14F2N2O2S/c21-13-7-5-12(6-8-13)20(26)24-10-9-17-16(24)11-18(27-17)19(25)23-15-4-2-1-3-14(15)22/h1-8,11H,9-10H2,(H,23,25)
InChIKeySHOWGHFZXCQBKL-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.48
Rot. Bonds3

About 4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide

4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide (PubChem CID 97407190) has the molecular formula C20H14F2N2O2S and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
PubChem CID97407190
Molecular FormulaC20H14F2N2O2S
Molecular Weight384.41 g/mol
Exact Mass384.07
IUPAC Name4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
SMILESO=C(Nc1ccccc1F)c1cc2c(s1)CCN2C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H14F2N2O2S/c21-13-7-5-12(6-8-13)20(26)24-10-9-17-16(24)11-18(27-17)19(25)23-15-4-2-1-3-14(15)22/h1-8,11H,9-10H2,(H,23,25)
InChIKeySHOWGHFZXCQBKL-UHFFFAOYSA-N
XLogP4.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzoyl-N-(4-chlorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97442321
4-benzoyl-N-[(3-fluorophenyl)methyl]-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97442314
4-benzoyl-N-propyl-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97442309
N-(1-benzoyl-3,4-dihydro-2H-quinolin-5-yl)-4-fluorobenzamide
CID 55978500
N-(4-chlorophenyl)-4-(pyridine-3-carbonyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97407183
8-fluoro-N-(2-fluorophenyl)-6-methyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 142512349
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
CID 109049539
4-(2,3-dihydroindole-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109049568
6-(4-aminobenzoyl)-8-fluoro-N-phenyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 137391360
4-fluoro-N-(2-fluorophenyl)-1-benzothiophene-2-carboxamide
CID 36679235
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-(2,5-difluorophenyl)urea
CID 46384443
4-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide
CID 97407182

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The IUPAC name of 4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide (CID 97407190) is 4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The canonical SMILES for 4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide is O=C(Nc1ccccc1F)c1cc2c(s1)CCN2C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
The InChIKey is SHOWGHFZXCQBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O2S/c21-13-7-5-12(6-8-13)20(26)24-10-9-17-16(24)11-18(27-17)19(25)23-15-4-2-1-3-14(15)22/h1-8,11H,9-10H2,(H,23,25).
What are the key properties of 4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide?
4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobenzoyl)-N-(2-fluorophenyl)-5,6-dihydrothieno[3,2-b]pyrrole-2-carboxamide is sourced from PubChem (CID 97407190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).