2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide

C13H19FN2O2 — CID 79384161

IUPAC2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O2/c1-4-16(8-13(2,3)18)12(17)10-7-9(14)5-6-11(10)15/h5-7,18H,4,8,15H2,1-3H3
InChIKeyYZEYMRYBXSPNQG-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.64
Rot. Bonds4

About 2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide

2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide (PubChem CID 79384161) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
PubChem CID79384161
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
SMILESCCN(CC(C)(C)O)C(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H19FN2O2/c1-4-16(8-13(2,3)18)12(17)10-7-9(14)5-6-11(10)15/h5-7,18H,4,8,15H2,1-3H3
InChIKeyYZEYMRYBXSPNQG-UHFFFAOYSA-N
XLogP1.64
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.64
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

methyl 2-[(2-amino-5-fluorobenzoyl)-ethylamino]acetate
CID 54998021
2-amino-N-(2-ethoxyethyl)-N-ethyl-5-fluorobenzamide
CID 63698396
5-bromo-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79381321
N-ethyl-2,3,4,5-tetrafluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380809
N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)-5-methylbenzamide
CID 79381420
2-amino-N-butan-2-yl-N-ethyl-5-fluorobenzamide
CID 43274590
4-chloro-N-ethyl-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79380808
2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598
2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide
CID 60939640
2-amino-N-(2-amino-2-oxoethyl)-5-fluoro-N-(2-methylpropyl)benzamide
CID 60962629
N-(2-amino-5-fluorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384898
N-(3-amino-2,2-dimethylpropyl)-2-chloro-N-ethyl-4-fluorobenzamide
CID 79668411

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The IUPAC name of 2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide (CID 79384161) is 2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide.
What is the SMILES notation for 2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The canonical SMILES for 2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide is CCN(CC(C)(C)O)C(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
The InChIKey is YZEYMRYBXSPNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-4-16(8-13(2,3)18)12(17)10-7-9(14)5-6-11(10)15/h5-7,18H,4,8,15H2,1-3H3.
What are the key properties of 2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide?
2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide has a molecular weight of 254.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-5-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide is sourced from PubChem (CID 79384161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).