1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone

C20H20ClN3O3 — CID 42790770

IUPAC1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc3occc3n2Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20ClN3O3/c1-14(25)22-6-8-23(9-7-22)20(26)18-12-19-17(5-10-27-19)24(18)13-15-3-2-4-16(21)11-15/h2-5,10-12H,6-9,13H2,1H3
InChIKeyMTNBEEZXTZKJHS-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.24
Rot. Bonds3

About 1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone

1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone (PubChem CID 42790770) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone
PubChem CID42790770
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc3occc3n2Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C20H20ClN3O3/c1-14(25)22-6-8-23(9-7-22)20(26)18-12-19-17(5-10-27-19)24(18)13-15-3-2-4-16(21)11-15/h2-5,10-12H,6-9,13H2,1H3
InChIKeyMTNBEEZXTZKJHS-UHFFFAOYSA-N
XLogP3.24
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

[4-[(4-methylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42790712
(4-butylfuro[3,2-b]pyrrol-5-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 4571903
[4-[(3-nitrophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone
CID 42790972
4-[(3-chlorophenyl)methyl]-N-(2-piperidin-1-ylethyl)furo[3,2-b]pyrrole-5-carboxamide
CID 3966910
4-[(3-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)furo[3,2-b]pyrrole-5-carboxamide
CID 42790763
ethyl 1-[4-[(3-fluorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 42790857
[4-[(2,3-difluorophenyl)methyl]furo[3,2-b]pyrrol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 7112965
[5-[(3-chlorophenyl)methyl]-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl]-morpholin-4-ylmethanone
CID 118159450
[2-bromo-4-[(3-chlorophenyl)methyl]thieno[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 46039994
[4-[(2,5-dimethylphenyl)methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791146
[5-chloro-1-[(4-chlorophenyl)methyl]indol-2-yl]-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 155568608
1-[4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 20754491

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone (CID 42790770) is 1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc3occc3n2Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is MTNBEEZXTZKJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-14(25)22-6-8-23(9-7-22)20(26)18-12-19-17(5-10-27-19)24(18)13-15-3-2-4-16(21)11-15/h2-5,10-12H,6-9,13H2,1H3.
What are the key properties of 1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone?
1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 385.85 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(3-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 42790770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).