3-fluoro-N-methoxyazepane-1-carboxamide

C8H15FN2O2 — CID 131177037

IUPAC3-fluoro-N-methoxyazepane-1-carboxamide
SMILESCONC(=O)N1CCCCC(F)C1
InChIInChI=1S/C8H15FN2O2/c1-13-10-8(12)11-5-3-2-4-7(9)6-11/h7H,2-6H2,1H3,(H,10,12)
InChIKeyWYKLOPZVVIUOMN-UHFFFAOYSA-N
MW190.22 g/mol
LogP1.08
Rot. Bonds1

About 3-fluoro-N-methoxyazepane-1-carboxamide

3-fluoro-N-methoxyazepane-1-carboxamide (PubChem CID 131177037) has the molecular formula C8H15FN2O2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 3-fluoro-N-methoxyazepane-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methoxyazepane-1-carboxamide
PubChem CID131177037
Molecular FormulaC8H15FN2O2
Molecular Weight190.22 g/mol
Exact Mass190.11
IUPAC Name3-fluoro-N-methoxyazepane-1-carboxamide
SMILESCONC(=O)N1CCCCC(F)C1
InChIInChI=1S/C8H15FN2O2/c1-13-10-8(12)11-5-3-2-4-7(9)6-11/h7H,2-6H2,1H3,(H,10,12)
InChIKeyWYKLOPZVVIUOMN-UHFFFAOYSA-N
XLogP1.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxyazocane-1-carboxamide
CID 130891205
1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one
CID 164659441
3-fluoropyrrolidine-1-carbohydrazide
CID 155317183
(2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one
CID 129493259
(3R)-3-(hydroxymethyl)-N-methoxypyrrolidine-1-carboxamide
CID 130668438
(3-fluoropiperidin-1-yl)-(1-methylpiperidin-2-yl)methanone
CID 145087679
1-(3-fluoropiperidin-1-yl)-2-methylpropan-1-one
CID 58812206
3-fluoropyrrolidine-1-carboxylic acid
CID 21071719
N-methoxycyclopentanecarboxamide
CID 59130435
3-(3-fluoropiperidin-1-yl)-2-methyl-3-oxopropanethioamide
CID 164657894
3-fluoro-N-piperidin-2-ylpyrrolidine-1-carboxamide
CID 54450911
benzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate
CID 169044811

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methoxyazepane-1-carboxamide?
The IUPAC name of 3-fluoro-N-methoxyazepane-1-carboxamide (CID 131177037) is 3-fluoro-N-methoxyazepane-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-methoxyazepane-1-carboxamide?
The canonical SMILES for 3-fluoro-N-methoxyazepane-1-carboxamide is CONC(=O)N1CCCCC(F)C1.
What is the InChIKey of 3-fluoro-N-methoxyazepane-1-carboxamide?
The InChIKey is WYKLOPZVVIUOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O2/c1-13-10-8(12)11-5-3-2-4-7(9)6-11/h7H,2-6H2,1H3,(H,10,12).
What are the key properties of 3-fluoro-N-methoxyazepane-1-carboxamide?
3-fluoro-N-methoxyazepane-1-carboxamide has a molecular weight of 190.22 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methoxyazepane-1-carboxamide is sourced from PubChem (CID 131177037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).