5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide

C12H15FN2O2 — CID 114118491

IUPAC5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2cc(N)ccc2F)C1
InChIInChI=1S/C12H15FN2O2/c1-17-9-5-8(6-9)15-12(16)10-4-7(14)2-3-11(10)13/h2-4,8-9H,5-6,14H2,1H3,(H,15,16)
InChIKeyORJQXPUJVUUKKK-UHFFFAOYSA-N
MW238.26 g/mol
LogP1.32
Rot. Bonds3

About 5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide

5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide (PubChem CID 114118491) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide
PubChem CID114118491
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide
SMILESCOC1CC(NC(=O)c2cc(N)ccc2F)C1
InChIInChI=1S/C12H15FN2O2/c1-17-9-5-8(6-9)15-12(16)10-4-7(14)2-3-11(10)13/h2-4,8-9H,5-6,14H2,1H3,(H,15,16)
InChIKeyORJQXPUJVUUKKK-UHFFFAOYSA-N
XLogP1.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide
CID 43510704
5-chloro-2-fluoro-N-(3-methoxycyclopentyl)benzamide
CID 103082452
5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
CID 61138909
5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide
CID 64748209
5-chloro-N-(3-ethoxycyclobutyl)-2-fluorobenzamide
CID 102610577
2-fluoro-N-(3-methoxycyclopentyl)-5-nitrobenzamide
CID 103097102
5-amino-N-(1,1-dioxothian-3-yl)-2-fluorobenzamide
CID 63924068
3-amino-4-fluoro-N-(3-methoxycyclopentyl)benzamide
CID 114117879
2,5-dibromo-N-(3-methoxycyclobutyl)benzamide
CID 104920723
methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
CID 43665877
5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82726014
5-amino-2-fluoro-N-(2-methylprop-2-enyl)benzamide
CID 114615032

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide (CID 114118491) is 5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide is COC1CC(NC(=O)c2cc(N)ccc2F)C1.
What is the InChIKey of 5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide?
The InChIKey is ORJQXPUJVUUKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-17-9-5-8(6-9)15-12(16)10-4-7(14)2-3-11(10)13/h2-4,8-9H,5-6,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide?
5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide has a molecular weight of 238.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide is sourced from PubChem (CID 114118491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).