azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone

C16H23FN2O — CID 62650057

IUPACazocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone
SMILESCCNc1c(F)cccc1C(=O)N1CCCCCCC1
InChIInChI=1S/C16H23FN2O/c1-2-18-15-13(9-8-10-14(15)17)16(20)19-11-6-4-3-5-7-12-19/h8-10,18H,2-7,11-12H2,1H3
InChIKeyPNKKYLBNDDZWHS-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.66
Rot. Bonds3

About azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone

azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone (PubChem CID 62650057) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone.

Molecular Properties

Compound Nameazocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone
PubChem CID62650057
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Nameazocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone
SMILESCCNc1c(F)cccc1C(=O)N1CCCCCCC1
InChIInChI=1S/C16H23FN2O/c1-2-18-15-13(9-8-10-14(15)17)16(20)19-11-6-4-3-5-7-12-19/h8-10,18H,2-7,11-12H2,1H3
InChIKeyPNKKYLBNDDZWHS-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(ethylamino)-3-fluorophenyl]-piperidin-1-ylmethanone
CID 62650415
[3-fluoro-2-(propylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 62648575
[2-(ethylamino)-3-fluorophenyl]-(1,4-thiazepan-4-yl)methanone
CID 62660209
[2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162009
[2-(ethylamino)-3-fluorophenyl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 62649666
[2-(ethylamino)-3-fluorophenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63979240
[2-(ethylamino)-3-fluorophenyl]-(2-methylpiperidin-1-yl)methanone
CID 62648743
[3-(dimethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-3-fluorophenyl]methanone
CID 63174935
[3-fluoro-2-(propylamino)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62650348
[2-(ethylamino)-3-fluorophenyl]-(2-propylpiperidin-1-yl)methanone
CID 83046307
[3-fluoro-2-(propylamino)phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 62661412
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone?
The IUPAC name of azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone (CID 62650057) is azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone.
What is the SMILES notation for azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone?
The canonical SMILES for azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone is CCNc1c(F)cccc1C(=O)N1CCCCCCC1.
What is the InChIKey of azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone?
The InChIKey is PNKKYLBNDDZWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-2-18-15-13(9-8-10-14(15)17)16(20)19-11-6-4-3-5-7-12-19/h8-10,18H,2-7,11-12H2,1H3.
What are the key properties of azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone?
azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone has a molecular weight of 278.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[2-(ethylamino)-3-fluorophenyl]methanone is sourced from PubChem (CID 62650057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).