4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide

C22H18F2N2O2 — CID 42790861

IUPAC4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc2occc2n1Cc1c(F)cccc1F
InChIInChI=1S/C22H18F2N2O2/c23-17-7-4-8-18(24)16(17)14-26-19-10-12-28-21(19)13-20(26)22(27)25-11-9-15-5-2-1-3-6-15/h1-8,10,12-13H,9,11,14H2,(H,25,27)
InChIKeyKGHLVEWXOMPMKX-UHFFFAOYSA-N
MW380.39 g/mol
LogP4.53
Rot. Bonds6

About 4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide

4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 42790861) has the molecular formula C22H18F2N2O2 and a molecular weight of 380.39 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID42790861
Molecular FormulaC22H18F2N2O2
Molecular Weight380.39 g/mol
Exact Mass380.13
IUPAC Name4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc2occc2n1Cc1c(F)cccc1F
InChIInChI=1S/C22H18F2N2O2/c23-17-7-4-8-18(24)16(17)14-26-19-10-12-28-21(19)13-20(26)22(27)25-11-9-15-5-2-1-3-6-15/h1-8,10,12-13H,9,11,14H2,(H,25,27)
InChIKeyKGHLVEWXOMPMKX-UHFFFAOYSA-N
XLogP4.53
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.39
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,5-dimethylphenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 7201900
4-(2-methylprop-2-enyl)-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42792567
4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45496120
4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 51720308
4-[(3,4-difluorophenyl)methyl]-N-(4-phenylbutan-2-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790915
4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45494460
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(2-methoxyphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 4651741
methyl 4-[2-oxo-2-(2-phenylethylamino)ethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883388
methyl (2R)-2-[[4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]amino]-3-phenylpropanoate
CID 51718452
4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3966910
4-[(3,4-difluorophenyl)methyl]-N-(pyridin-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 7289201
methyl 4-[(2-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylate
CID 20883200

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide (CID 42790861) is 4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide is O=C(NCCc1ccccc1)c1cc2occc2n1Cc1c(F)cccc1F.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is KGHLVEWXOMPMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N2O2/c23-17-7-4-8-18(24)16(17)14-26-19-10-12-28-21(19)13-20(26)22(27)25-11-9-15-5-2-1-3-6-15/h1-8,10,12-13H,9,11,14H2,(H,25,27).
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide?
4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 380.39 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42790861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).