3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide

C13H17FN2O — CID 113488542

IUPAC3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide
SMILESCCC1(NC(=O)c2cc(N)cc(F)c2)CCC1
InChIInChI=1S/C13H17FN2O/c1-2-13(4-3-5-13)16-12(17)9-6-10(14)8-11(15)7-9/h6-8H,2-5,15H2,1H3,(H,16,17)
InChIKeyDQLRYUPGXWBCFO-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.47
Rot. Bonds3

About 3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide

3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide (PubChem CID 113488542) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide
PubChem CID113488542
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide
SMILESCCC1(NC(=O)c2cc(N)cc(F)c2)CCC1
InChIInChI=1S/C13H17FN2O/c1-2-13(4-3-5-13)16-12(17)9-6-10(14)8-11(15)7-9/h6-8H,2-5,15H2,1H3,(H,16,17)
InChIKeyDQLRYUPGXWBCFO-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dibromo-N-(1-ethylcyclobutyl)benzamide
CID 107980571
2-amino-N-(1-ethylcyclobutyl)-5-fluoropyridine-3-carboxamide
CID 114035108
N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
CID 63755319
3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 113266948
3-bromo-5-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081283
N-(1-ethylcyclobutyl)-2,5-difluoro-3-nitrobenzamide
CID 107122311
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
CID 107162855
N-(1-ethylcyclobutyl)-3-fluoro-4-nitrobenzamide
CID 113248304
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
5-bromo-N-(1-ethylcyclobutyl)furan-3-carboxamide
CID 130978943
2-bromo-N-(1-ethylcyclobutyl)-6-fluorobenzamide
CID 114559748
3-amino-5-fluoro-N-(2-methylprop-2-enyl)benzamide
CID 114614947

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide?
The IUPAC name of 3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide (CID 113488542) is 3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide.
What is the SMILES notation for 3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide?
The canonical SMILES for 3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide is CCC1(NC(=O)c2cc(N)cc(F)c2)CCC1.
What is the InChIKey of 3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide?
The InChIKey is DQLRYUPGXWBCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-2-13(4-3-5-13)16-12(17)9-6-10(14)8-11(15)7-9/h6-8H,2-5,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide?
3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide has a molecular weight of 236.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-ethylcyclobutyl)-5-fluorobenzamide is sourced from PubChem (CID 113488542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).