N-(4-bromo-2-fluorophenyl)-4-[(4-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide

C20H13BrClFN2OS — CID 20877096

IUPACN-(4-bromo-2-fluorophenyl)-4-[(4-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cc2sccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H13BrClFN2OS/c21-13-3-6-16(15(23)9-13)24-20(26)18-10-19-17(7-8-27-19)25(18)11-12-1-4-14(22)5-2-12/h1-10H,11H2,(H,24,26)
InChIKeyJRGNZQWQNHCTJN-UHFFFAOYSA-N
MW463.76 g/mol
LogP6.56
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-4-[(4-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide

N-(4-bromo-2-fluorophenyl)-4-[(4-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 20877096) has the molecular formula C20H13BrClFN2OS and a molecular weight of 463.76 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-[(4-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-[(4-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID20877096
Molecular FormulaC20H13BrClFN2OS
Molecular Weight463.76 g/mol
Exact Mass461.96
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-[(4-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cc2sccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C20H13BrClFN2OS/c21-13-3-6-16(15(23)9-13)24-20(26)18-10-19-17(7-8-27-19)25(18)11-12-1-4-14(22)5-2-12/h1-10H,11H2,(H,24,26)
InChIKeyJRGNZQWQNHCTJN-UHFFFAOYSA-N
XLogP6.56
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.76
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-fluorophenyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 43639461
4-benzyl-N-(1,3-thiazol-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3225162
4-benzyl-N-(4-methyl-2-pyridinyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 3860168
4-[(4-fluorophenyl)methyl]-N-(4-phenylbutan-2-yl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877121
4-benzyl-N-(4-methoxyphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 1455010
N,4-bis[(2-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46038882
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
1-(4-bromo-2-fluorophenyl)-3-(4-chlorophenyl)urea
CID 897820
4-[(4-methoxyphenyl)methyl]-N-(2-methylpropyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46039256
N-(4-bromo-2-fluorophenyl)-2,6-dichlorobenzamide
CID 1279612
N-(4-bromo-2-fluorophenyl)-4-[(2,5-dioxoimidazolidin-1-yl)methyl]benzamide
CID 60593281
N-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17022345

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-[(4-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-[(4-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 20877096) is N-(4-bromo-2-fluorophenyl)-4-[(4-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-[(4-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-[(4-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is O=C(Nc1ccc(Br)cc1F)c1cc2sccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-[(4-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is JRGNZQWQNHCTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrClFN2OS/c21-13-3-6-16(15(23)9-13)24-20(26)18-10-19-17(7-8-27-19)25(18)11-12-1-4-14(22)5-2-12/h1-10H,11H2,(H,24,26).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-[(4-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
N-(4-bromo-2-fluorophenyl)-4-[(4-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 463.76 g/mol, XLogP of 6.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-[(4-chlorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 20877096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).