(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone

C14H19FN2O — CID 55139020

IUPAC(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone
SMILESNc1cc(F)ccc1C(=O)N1CCCCCCC1
InChIInChI=1S/C14H19FN2O/c15-11-6-7-12(13(16)10-11)14(18)17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9,16H2
InChIKeyKYFRFZYFMATVPZ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.81
Rot. Bonds1

About (2-amino-4-fluorophenyl)-(azocan-1-yl)methanone

(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone (PubChem CID 55139020) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is (2-amino-4-fluorophenyl)-(azocan-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone
PubChem CID55139020
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone
SMILESNc1cc(F)ccc1C(=O)N1CCCCCCC1
InChIInChI=1S/C14H19FN2O/c15-11-6-7-12(13(16)10-11)14(18)17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9,16H2
InChIKeyKYFRFZYFMATVPZ-UHFFFAOYSA-N
XLogP2.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-amino-4-fluorobenzoyl)-1,4-diazepan-1-yl]ethanone
CID 62074859
(2-amino-4-fluorophenyl)-(4-methylazepan-1-yl)methanone
CID 63627576
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
CID 61091444
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
(2-amino-4-bromophenyl)-(azepan-1-yl)methanone
CID 69071535
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
(2-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63110249
4-(2-amino-4-fluorobenzoyl)-N-ethylpiperazine-1-carboxamide
CID 63110197
[2-(3-aminoprop-1-ynyl)-4-fluorophenyl]-(azocan-1-yl)methanone
CID 60822124
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759
2-(azetidine-1-carbonyl)-5-fluorobenzamide
CID 70098132

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-fluorophenyl)-(azocan-1-yl)methanone?
The IUPAC name of (2-amino-4-fluorophenyl)-(azocan-1-yl)methanone (CID 55139020) is (2-amino-4-fluorophenyl)-(azocan-1-yl)methanone.
What is the SMILES notation for (2-amino-4-fluorophenyl)-(azocan-1-yl)methanone?
The canonical SMILES for (2-amino-4-fluorophenyl)-(azocan-1-yl)methanone is Nc1cc(F)ccc1C(=O)N1CCCCCCC1.
What is the InChIKey of (2-amino-4-fluorophenyl)-(azocan-1-yl)methanone?
The InChIKey is KYFRFZYFMATVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-11-6-7-12(13(16)10-11)14(18)17-8-4-2-1-3-5-9-17/h6-7,10H,1-5,8-9,16H2.
What are the key properties of (2-amino-4-fluorophenyl)-(azocan-1-yl)methanone?
(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone has a molecular weight of 250.32 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-fluorophenyl)-(azocan-1-yl)methanone is sourced from PubChem (CID 55139020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).