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

C22H25F2N3O3 — CID 42791595

IUPAC4-[(2,4-difluorophenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCCCN3CCOCC3)n2Cc2ccc(F)cc2F)o1
InChIInChI=1S/C22H25F2N3O3/c1-15-11-19-21(30-15)13-20(27(19)14-16-3-4-17(23)12-18(16)24)22(28)25-5-2-6-26-7-9-29-10-8-26/h3-4,11-13H,2,5-10,14H2,1H3,(H,25,28)
InChIKeySLVNTTLNGOKTEP-UHFFFAOYSA-N
MW417.46 g/mol
LogP3.32
Rot. Bonds7

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

4-[(2,4-difluorophenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 42791595) has the molecular formula C22H25F2N3O3 and a molecular weight of 417.46 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID42791595
Molecular FormulaC22H25F2N3O3
Molecular Weight417.46 g/mol
Exact Mass417.19
IUPAC Name4-[(2,4-difluorophenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1cc2c(cc(C(=O)NCCCN3CCOCC3)n2Cc2ccc(F)cc2F)o1
InChIInChI=1S/C22H25F2N3O3/c1-15-11-19-21(30-15)13-20(27(19)14-16-3-4-17(23)12-18(16)24)22(28)25-5-2-6-26-7-9-29-10-8-26/h3-4,11-13H,2,5-10,14H2,1H3,(H,25,28)
InChIKeySLVNTTLNGOKTEP-UHFFFAOYSA-N
XLogP3.32
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(2,4-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 7416009
4-[(4-chlorophenyl)methyl]-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 20885172
1-[4-[4-[(2,4-difluorophenyl)methyl]-2-methylfuro[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone
CID 42791602
2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791446
4-fluoro-2-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 115745095
2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 91958895
4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45494460
2-bromo-N-(3-morpholin-4-ylpropyl)-4-prop-2-enylfuro[3,2-b]pyrrole-5-carboxamide
CID 91959024
4-[(4-bromophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3577230
4-[(2-fluorophenyl)methyl]-2-methyl-N-(pyridin-2-ylmethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791219
(E)-3-(2,4-difluorophenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 90264836
4-fluoro-N-(3-morpholin-4-ylpropyl)-2-nitrobenzamide
CID 21240823

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(2,4-difluorophenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide (CID 42791595) is 4-[(2,4-difluorophenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(2,4-difluorophenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide is Cc1cc2c(cc(C(=O)NCCCN3CCOCC3)n2Cc2ccc(F)cc2F)o1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is SLVNTTLNGOKTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O3/c1-15-11-19-21(30-15)13-20(27(19)14-16-3-4-17(23)12-18(16)24)22(28)25-5-2-6-26-7-9-29-10-8-26/h3-4,11-13H,2,5-10,14H2,1H3,(H,25,28).
What are the key properties of 4-[(2,4-difluorophenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide?
4-[(2,4-difluorophenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 417.46 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methyl]-2-methyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42791595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).