azepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone

C16H21BrN2O3 — CID 91958893

IUPACazepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone
SMILESCOCCn1c(C(=O)N2CCCCCC2)cc2oc(Br)cc21
InChIInChI=1S/C16H21BrN2O3/c1-21-9-8-19-12-11-15(17)22-14(12)10-13(19)16(20)18-6-4-2-3-5-7-18/h10-11H,2-9H2,1H3
InChIKeyRJUUWDILJVRKTK-UHFFFAOYSA-N
MW369.26 g/mol
LogP3.66
Rot. Bonds4

About azepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone

azepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone (PubChem CID 91958893) has the molecular formula C16H21BrN2O3 and a molecular weight of 369.26 g/mol. Its IUPAC name is azepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone
PubChem CID91958893
Molecular FormulaC16H21BrN2O3
Molecular Weight369.26 g/mol
Exact Mass368.07
IUPAC Nameazepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone
SMILESCOCCn1c(C(=O)N2CCCCCC2)cc2oc(Br)cc21
InChIInChI=1S/C16H21BrN2O3/c1-21-9-8-19-12-11-15(17)22-14(12)10-13(19)16(20)18-6-4-2-3-5-7-18/h10-11H,2-9H2,1H3
InChIKeyRJUUWDILJVRKTK-UHFFFAOYSA-N
XLogP3.66
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 91958848
ethyl 1-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrole-5-carbonyl]piperidine-4-carboxylate
CID 91958892
azepan-1-yl-[2-bromo-4-(2-methoxyethoxy)-1-benzofuran-6-yl]methanone
CID 91958193
(2-bromo-4-prop-2-enylfuro[3,2-b]pyrrol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 91959016
(4-benzyl-2-bromofuro[3,2-b]pyrrol-5-yl)-(4-propylpiperazin-1-yl)methanone
CID 91959090
[2-methyl-4-(2-methylprop-2-enyl)furo[3,2-b]pyrrol-5-yl]-piperidin-1-ylmethanone
CID 7231179
2-bromo-4-(2-methoxyethyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]furo[3,2-b]pyrrole-5-carboxamide
CID 91958793
(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 91958654
(4-benzylpiperazin-1-yl)-(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)methanone
CID 91958676
(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 91958754
[2-bromo-4-(2-methoxyethoxy)-1-benzofuran-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 91958184
[2-methyl-4-[[4-(trifluoromethyl)phenyl]methyl]furo[3,2-b]pyrrol-5-yl]-pyrrolidin-1-ylmethanone
CID 42791225

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone?
The IUPAC name of azepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone (CID 91958893) is azepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone.
What is the SMILES notation for azepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone?
The canonical SMILES for azepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone is COCCn1c(C(=O)N2CCCCCC2)cc2oc(Br)cc21.
What is the InChIKey of azepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone?
The InChIKey is RJUUWDILJVRKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O3/c1-21-9-8-19-12-11-15(17)22-14(12)10-13(19)16(20)18-6-4-2-3-5-7-18/h10-11H,2-9H2,1H3.
What are the key properties of azepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone?
azepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone has a molecular weight of 369.26 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[2-bromo-4-(2-methoxyethyl)furo[3,2-b]pyrrol-5-yl]methanone is sourced from PubChem (CID 91958893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).