(2,3-dichlorophenyl)-[4-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone

C18H15Cl2N3O3 — CID 71911446

IUPAC(2,3-dichlorophenyl)-[4-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2occc2[nH]1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C18H15Cl2N3O3/c19-12-3-1-2-11(16(12)20)17(24)22-5-7-23(8-6-22)18(25)14-10-15-13(21-14)4-9-26-15/h1-4,9-10,21H,5-8H2
InChIKeyKPGNWYRSJDHBJK-UHFFFAOYSA-N
MW392.24 g/mol
LogP3.67
Rot. Bonds2

About (2,3-dichlorophenyl)-[4-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone

(2,3-dichlorophenyl)-[4-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 71911446) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[4-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[4-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone
PubChem CID71911446
Molecular FormulaC18H15Cl2N3O3
Molecular Weight392.24 g/mol
Exact Mass391.05
IUPAC Name(2,3-dichlorophenyl)-[4-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2occc2[nH]1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C18H15Cl2N3O3/c19-12-3-1-2-11(16(12)20)17(24)22-5-7-23(8-6-22)18(25)14-10-15-13(21-14)4-9-26-15/h1-4,9-10,21H,5-8H2
InChIKeyKPGNWYRSJDHBJK-UHFFFAOYSA-N
XLogP3.67
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-dichlorophenyl)-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 86996550
4H-furo[3,2-b]pyrrol-5-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 71801478
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119287862
(3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55748861
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 27562409
azetidin-1-yl-(4-chloro-1H-indol-2-yl)methanone
CID 167907926
(4-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 66572106
2-[4-(2,3-dichlorobenzoyl)piperazine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120974959
1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55858815
(2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 18115100

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[4-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[4-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone (CID 71911446) is (2,3-dichlorophenyl)-[4-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[4-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[4-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone is O=C(c1cc2occc2[nH]1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of (2,3-dichlorophenyl)-[4-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is KPGNWYRSJDHBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c19-12-3-1-2-11(16(12)20)17(24)22-5-7-23(8-6-22)18(25)14-10-15-13(21-14)4-9-26-15/h1-4,9-10,21H,5-8H2.
What are the key properties of (2,3-dichlorophenyl)-[4-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone?
(2,3-dichlorophenyl)-[4-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 392.24 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[4-(4H-furo[3,2-b]pyrrole-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71911446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).