1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-5-one

C15H19FN2O — CID 127649455

IUPAC1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-5-one
SMILESO=C1CCN(C2CCCc3ccc(F)cc32)CCN1
InChIInChI=1S/C15H19FN2O/c16-12-5-4-11-2-1-3-14(13(11)10-12)18-8-6-15(19)17-7-9-18/h4-5,10,14H,1-3,6-9H2,(H,17,19)
InChIKeyIYFDNMFPFGSUOR-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.03
Rot. Bonds1

About 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-5-one

1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-5-one (PubChem CID 127649455) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-5-one
PubChem CID127649455
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-5-one
SMILESO=C1CCN(C2CCCc3ccc(F)cc32)CCN1
InChIInChI=1S/C15H19FN2O/c16-12-5-4-11-2-1-3-14(13(11)10-12)18-8-6-15(19)17-7-9-18/h4-5,10,14H,1-3,6-9H2,(H,17,19)
InChIKeyIYFDNMFPFGSUOR-UHFFFAOYSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-5-one 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

1-[7-(4-fluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-4-methylpiperazine
CID 11558865
1-ethyl-4-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepane
CID 119033529
1-(5-amino-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one
CID 79741363
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-1,4-diazepan-5-one
CID 84589734
10-fluoro-2-(4-fluorophenyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline
CID 46212848
8-pyrrolidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 105470466
(8aR,12aS,13aR)-2-fluoro-6,8,8a,9,10,11,12,12a,13,13a-decahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine
CID 18636279
1-(2-amino-5-fluorophenyl)-1,4-diazepan-5-one
CID 63003752
8-piperidin-1-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 86154069
1-[7-(deuteriomethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine;ethane
CID 91603209
1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazolidin-2-one
CID 124578698
N-(diaminomethylidene)-8-piperazin-1-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide;trihydrochloride
CID 67337955

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-5-one?
The IUPAC name of 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-5-one (CID 127649455) is 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-5-one is O=C1CCN(C2CCCc3ccc(F)cc32)CCN1.
What is the InChIKey of 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-5-one?
The InChIKey is IYFDNMFPFGSUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c16-12-5-4-11-2-1-3-14(13(11)10-12)18-8-6-15(19)17-7-9-18/h4-5,10,14H,1-3,6-9H2,(H,17,19).
What are the key properties of 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-5-one?
1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-5-one has a molecular weight of 262.33 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-1,4-diazepan-5-one is sourced from PubChem (CID 127649455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).