(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone

C19H20FNO — CID 90608444

IUPAC(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C19H20FNO/c20-18-11-6-10-16(13-18)19(22)21-12-5-4-9-17(14-21)15-7-2-1-3-8-15/h1-3,6-8,10-11,13,17H,4-5,9,12,14H2
InChIKeyMNIAJBVQVJQVLT-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.24
Rot. Bonds2

About (3-fluorophenyl)-(3-phenylazepan-1-yl)methanone

(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone (PubChem CID 90608444) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is (3-fluorophenyl)-(3-phenylazepan-1-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
PubChem CID90608444
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCCCC(c2ccccc2)C1
InChIInChI=1S/C19H20FNO/c20-18-11-6-10-16(13-18)19(22)21-12-5-4-9-17(14-21)15-7-2-1-3-8-15/h1-3,6-8,10-11,13,17H,4-5,9,12,14H2
InChIKeyMNIAJBVQVJQVLT-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(4-fluorophenyl)azepan-1-yl]-(3-methylphenyl)methanone
CID 90608748
(3-nitrophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608457
(3-fluorophenyl)-[(3R)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95333696
(3-aminophenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 155682211
[3-(4-fluorophenyl)azepan-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 121130934
(2-chloro-4-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608526
[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 932369
[1-(3-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 3769094
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
(3-fluoro-4-methoxyphenyl)-(3-phenylazepan-1-yl)methanone
CID 121146218
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(3-phenylazepan-1-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(3-phenylazepan-1-yl)methanone (CID 90608444) is (3-fluorophenyl)-(3-phenylazepan-1-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(3-phenylazepan-1-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(3-phenylazepan-1-yl)methanone is O=C(c1cccc(F)c1)N1CCCCC(c2ccccc2)C1.
What is the InChIKey of (3-fluorophenyl)-(3-phenylazepan-1-yl)methanone?
The InChIKey is MNIAJBVQVJQVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c20-18-11-6-10-16(13-18)19(22)21-12-5-4-9-17(14-21)15-7-2-1-3-8-15/h1-3,6-8,10-11,13,17H,4-5,9,12,14H2.
What are the key properties of (3-fluorophenyl)-(3-phenylazepan-1-yl)methanone?
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone has a molecular weight of 297.37 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(3-phenylazepan-1-yl)methanone is sourced from PubChem (CID 90608444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).