2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide

C13H17FN2O2 — CID 102858956

IUPAC2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide
SMILESNc1ccc(F)cc1C(=O)N(CCO)C1CCC1
InChIInChI=1S/C13H17FN2O2/c14-9-4-5-12(15)11(8-9)13(18)16(6-7-17)10-2-1-3-10/h4-5,8,10,17H,1-3,6-7,15H2
InChIKeyPCNKPKHXDZQCSC-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.39
Rot. Bonds4

About 2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide

2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 102858956) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide
PubChem CID102858956
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide
SMILESNc1ccc(F)cc1C(=O)N(CCO)C1CCC1
InChIInChI=1S/C13H17FN2O2/c14-9-4-5-12(15)11(8-9)13(18)16(6-7-17)10-2-1-3-10/h4-5,8,10,17H,1-3,6-7,15H2
InChIKeyPCNKPKHXDZQCSC-UHFFFAOYSA-N
XLogP1.39
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.39
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

N-cyclopentyl-5-fluoro-2-hydroxy-N-(2-hydroxyethyl)benzamide
CID 115298997
2-amino-N-cyclohexyl-5-hydroxy-N-(2-hydroxyethyl)benzamide
CID 107074484
2-amino-N-butyl-N-cyclopropyl-5-fluorobenzamide
CID 60944357
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-5-nitrobenzamide
CID 102870405
N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)-2-iodobenzamide
CID 103863295
2-amino-5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43575514
2-amino-5-bromo-N-cyclobutyl-N-(3-hydroxypropyl)benzamide
CID 102864994
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2-(3-hydroxyprop-1-ynyl)benzamide
CID 102868031
2-amino-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 63110320
5-amino-2-bromo-N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 62816289
2-amino-N-cyclopentyl-3-fluoro-N-(2-hydroxyethyl)benzamide
CID 62662448
N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 43319379

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide (CID 102858956) is 2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide is Nc1ccc(F)cc1C(=O)N(CCO)C1CCC1.
What is the InChIKey of 2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is PCNKPKHXDZQCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-9-4-5-12(15)11(8-9)13(18)16(6-7-17)10-2-1-3-10/h4-5,8,10,17H,1-3,6-7,15H2.
What are the key properties of 2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide?
2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 252.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclobutyl-5-fluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 102858956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).