[(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone

C17H18FNO2 — CID 99883345

IUPAC[(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCC[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C17H18FNO2/c18-16-6-4-13(5-7-16)14-3-1-2-9-19(11-14)17(20)15-8-10-21-12-15/h4-8,10,12,14H,1-3,9,11H2/t14-/m0/s1
InChIKeyNMKNEZPGWRFCBM-AWEZNQCLSA-N
MW287.33 g/mol
LogP3.83
Rot. Bonds2

About [(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone

[(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone (PubChem CID 99883345) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is [(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone
PubChem CID99883345
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name[(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCCC[C@H](c2ccc(F)cc2)C1
InChIInChI=1S/C17H18FNO2/c18-16-6-4-13(5-7-16)14-3-1-2-9-19(11-14)17(20)15-8-10-21-12-15/h4-8,10,12,14H,1-3,9,11H2/t14-/m0/s1
InChIKeyNMKNEZPGWRFCBM-AWEZNQCLSA-N
XLogP3.83
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
(4-bromophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 72717452
[3,5-bis(trifluoromethyl)phenyl]-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 121130936
4-[3-(4-fluorophenyl)azepane-1-carbonyl]-6-hydroxy-1H-pyridin-2-one
CID 121146340
[3-(4-fluorophenyl)azepan-1-yl]-(3-methylphenyl)methanone
CID 90608748
[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone
CID 15947762
[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone
CID 53185294
(2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 90608763
[3-(4-fluorophenyl)azepan-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 72717451
[3-(4-fluorophenyl)azepan-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121130934
[3-(4-fluorophenyl)azepan-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 121146311
[(3R)-3-(4-fluorophenyl)azepan-1-yl]-(oxan-4-yl)methanone
CID 99876618

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone (CID 99883345) is [(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCCC[C@H](c2ccc(F)cc2)C1.
What is the InChIKey of [(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone?
The InChIKey is NMKNEZPGWRFCBM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-16-6-4-13(5-7-16)14-3-1-2-9-19(11-14)17(20)15-8-10-21-12-15/h4-8,10,12,14H,1-3,9,11H2/t14-/m0/s1.
What are the key properties of [(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone?
[(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone has a molecular weight of 287.33 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 99883345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).