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

C17H13BrF2N2OS — CID 83289816

IUPAC2-bromo-N-cyclopropyl-4-[(2,4-difluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC1CC1)c1cc2sc(Br)cc2n1Cc1ccc(F)cc1F
InChIInChI=1S/C17H13BrF2N2OS/c18-16-7-13-15(24-16)6-14(17(23)21-11-3-4-11)22(13)8-9-1-2-10(19)5-12(9)20/h1-2,5-7,11H,3-4,8H2,(H,21,23)
InChIKeyDBEOLRBQDHCPGJ-UHFFFAOYSA-N
MW411.27 g/mol
LogP4.68
Rot. Bonds4

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

2-bromo-N-cyclopropyl-4-[(2,4-difluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 83289816) has the molecular formula C17H13BrF2N2OS and a molecular weight of 411.27 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-4-[(2,4-difluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-4-[(2,4-difluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID83289816
Molecular FormulaC17H13BrF2N2OS
Molecular Weight411.27 g/mol
Exact Mass409.99
IUPAC Name2-bromo-N-cyclopropyl-4-[(2,4-difluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NC1CC1)c1cc2sc(Br)cc2n1Cc1ccc(F)cc1F
InChIInChI=1S/C17H13BrF2N2OS/c18-16-7-13-15(24-16)6-14(17(23)21-11-3-4-11)22(13)8-9-1-2-10(19)5-12(9)20/h1-2,5-7,11H,3-4,8H2,(H,21,23)
InChIKeyDBEOLRBQDHCPGJ-UHFFFAOYSA-N
XLogP4.68
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.27
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-[(2,4-difluorophenyl)methyl]-N-[(3-methylphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46040086
2-bromo-4-[(3-chlorophenyl)methyl]-N-cyclopropylthieno[3,2-b]pyrrole-5-carboxamide
CID 83289817
N-benzyl-2-bromo-4-[(4-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 83289653
4-[(4-fluorophenyl)methyl]-N-(4-methylcyclohexyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 20877117
N-(1,3-benzodioxol-5-ylmethyl)-2-bromo-4-[(3-fluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 42848775
ethyl (3R)-1-[4-[(2,4-difluorophenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carbonyl]piperidine-3-carboxylate
CID 93324567
2-bromo-N-[(3-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 46052275
4-[(E)-but-2-enyl]-N-cyclopropyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42656504
[2-bromo-4-[(3,4-difluorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
CID 46040094
2-bromo-4-[(E)-but-2-enyl]-N-(cyclopropylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 46040037
1-[(2,4-difluorophenyl)methyl]-4-prop-2-enoxy-N-propylindole-2-carboxamide
CID 42805833
2-amino-N-cyclopropyl-5-fluorobenzamide
CID 22493342

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-4-[(2,4-difluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-N-cyclopropyl-4-[(2,4-difluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide (CID 83289816) is 2-bromo-N-cyclopropyl-4-[(2,4-difluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-4-[(2,4-difluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-4-[(2,4-difluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is O=C(NC1CC1)c1cc2sc(Br)cc2n1Cc1ccc(F)cc1F.
What is the InChIKey of 2-bromo-N-cyclopropyl-4-[(2,4-difluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is DBEOLRBQDHCPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrF2N2OS/c18-16-7-13-15(24-16)6-14(17(23)21-11-3-4-11)22(13)8-9-1-2-10(19)5-12(9)20/h1-2,5-7,11H,3-4,8H2,(H,21,23).
What are the key properties of 2-bromo-N-cyclopropyl-4-[(2,4-difluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide?
2-bromo-N-cyclopropyl-4-[(2,4-difluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 411.27 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-4-[(2,4-difluorophenyl)methyl]thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 83289816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).