4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide

C20H22ClN3O2 — CID 42791069

IUPAC4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc2occc2n1Cc1ccccc1Cl
InChIInChI=1S/C20H22ClN3O2/c21-16-6-2-1-5-15(16)14-24-17-7-12-26-19(17)13-18(24)20(25)22-8-11-23-9-3-4-10-23/h1-2,5-7,12-13H,3-4,8-11,14H2,(H,22,25)
InChIKeyVUDFFOLGNYIUGO-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.76
Rot. Bonds6

About 4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide

4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 42791069) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID42791069
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NCCN1CCCC1)c1cc2occc2n1Cc1ccccc1Cl
InChIInChI=1S/C20H22ClN3O2/c21-16-6-2-1-5-15(16)14-24-17-7-12-26-19(17)13-18(24)20(25)22-8-11-23-9-3-4-10-23/h1-2,5-7,12-13H,3-4,8-11,14H2,(H,22,25)
InChIKeyVUDFFOLGNYIUGO-UHFFFAOYSA-N
XLogP3.76
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3966910
4-[(2,5-dimethylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791148
4-benzyl-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45494460
2-methyl-4-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42791446
4-benzyl-N-(3-hydroxypropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 45496120
4-[(2,5-dimethylphenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 7201900
4-[(2-fluorophenyl)methyl]-N-[(2R)-2-hydroxy-2-phenylethyl]furo[3,2-b]pyrrole-5-carboxamide
CID 51720308
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
N-[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide;dihydrochloride
CID 139726497
4-[(2,6-difluorophenyl)methyl]-N-(2-phenylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790861
4-[(4-bromophenyl)methyl]-2-methyl-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3577230
N-butan-2-yl-4-[(2-methylphenyl)methyl]furo[3,2-b]pyrrole-5-carboxamide
CID 75768838

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide (CID 42791069) is 4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide is O=C(NCCN1CCCC1)c1cc2occc2n1Cc1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is VUDFFOLGNYIUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c21-16-6-2-1-5-15(16)14-24-17-7-12-26-19(17)13-18(24)20(25)22-8-11-23-9-3-4-10-23/h1-2,5-7,12-13H,3-4,8-11,14H2,(H,22,25).
What are the key properties of 4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide?
4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 42791069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).