1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone

C16H17FN2O2 — CID 94296837

IUPAC1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)o1)N1CCCNCC1
InChIInChI=1S/C16H17FN2O2/c17-13-4-2-12(3-5-13)14-6-7-15(21-14)16(20)19-10-1-8-18-9-11-19/h2-7,18H,1,8-11H2
InChIKeyLUUAZVCROFFPFM-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.52
Rot. Bonds2

About 1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone

1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone (PubChem CID 94296837) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone
PubChem CID94296837
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)o1)N1CCCNCC1
InChIInChI=1S/C16H17FN2O2/c17-13-4-2-12(3-5-13)14-6-7-15(21-14)16(20)19-10-1-8-18-9-11-19/h2-7,18H,1,8-11H2
InChIKeyLUUAZVCROFFPFM-UHFFFAOYSA-N
XLogP2.52
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(4-chlorophenyl)furan-2-yl]-piperazin-1-ylmethanone
CID 24857857
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207
[1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 51238675
[5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone
CID 44585671
1-(azepan-1-yl)-2-[4-[5-(4-fluorophenyl)furan-2-carbonyl]piperazin-1-yl]ethanone
CID 35610778
1-[5-(4-fluorophenyl)furan-2-carbonyl]piperidine-3-carboxamide
CID 78804067
[5-(4-fluorophenyl)furan-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 111694888
[5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 70036380
[5-(4-fluorophenyl)furan-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17447640
[5-(4-fluorophenyl)furan-2-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111429882
[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428
[(3R)-3-aminopyrrolidin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 119412672

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone?
The IUPAC name of 1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone (CID 94296837) is 1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone.
What is the SMILES notation for 1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone?
The canonical SMILES for 1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone is O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCCNCC1.
What is the InChIKey of 1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone?
The InChIKey is LUUAZVCROFFPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-13-4-2-12(3-5-13)14-6-7-15(21-14)16(20)19-10-1-8-18-9-11-19/h2-7,18H,1,8-11H2.
What are the key properties of 1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone?
1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone has a molecular weight of 288.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone is sourced from PubChem (CID 94296837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).