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

C19H19F2NO — CID 90608763

IUPAC(2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCCCC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H19F2NO/c20-16-10-8-14(9-11-16)15-5-3-4-12-22(13-15)19(23)17-6-1-2-7-18(17)21/h1-2,6-11,15H,3-5,12-13H2
InChIKeyOZEURQSATNLNAA-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.37
Rot. Bonds2

About (2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone

(2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone (PubChem CID 90608763) has the molecular formula C19H19F2NO and a molecular weight of 315.36 g/mol. Its IUPAC name is (2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
PubChem CID90608763
Molecular FormulaC19H19F2NO
Molecular Weight315.36 g/mol
Exact Mass315.14
IUPAC Name(2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCCCC(c2ccc(F)cc2)C1
InChIInChI=1S/C19H19F2NO/c20-16-10-8-14(9-11-16)15-5-3-4-12-22(13-15)19(23)17-6-1-2-7-18(17)21/h1-2,6-11,15H,3-5,12-13H2
InChIKeyOZEURQSATNLNAA-UHFFFAOYSA-N
XLogP4.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(3R)-3-(4-fluorophenyl)azepan-1-yl]-(2-methylsulfanylphenyl)methanone
CID 99903015
[3-(4-fluorophenyl)azepan-1-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 121146325
[3-(4-chlorophenyl)azepan-1-yl]-(2,4-difluorophenyl)methanone
CID 121146583
(2-chloro-4-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 121130954
(2-chloro-4-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608526
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
[3-(4-chlorophenyl)azepan-1-yl]-(2-methylphenyl)methanone
CID 121146469
(2-bromophenyl)-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146494
(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082445
1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 50804043
(4-bromophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 72717452
[(3R)-3-(4-fluorophenyl)azepan-1-yl]-(furan-3-yl)methanone
CID 99883345

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone (CID 90608763) is (2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone is O=C(c1ccccc1F)N1CCCCC(c2ccc(F)cc2)C1.
What is the InChIKey of (2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone?
The InChIKey is OZEURQSATNLNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO/c20-16-10-8-14(9-11-16)15-5-3-4-12-22(13-15)19(23)17-6-1-2-7-18(17)21/h1-2,6-11,15H,3-5,12-13H2.
What are the key properties of (2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone?
(2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone has a molecular weight of 315.36 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone is sourced from PubChem (CID 90608763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).