5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide

C13H19FN2O2 — CID 65049581

IUPAC5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
SMILESCOCC(NC(=O)c1cc(N)ccc1F)C(C)C
InChIInChI=1S/C13H19FN2O2/c1-8(2)12(7-18-3)16-13(17)10-6-9(15)4-5-11(10)14/h4-6,8,12H,7,15H2,1-3H3,(H,16,17)
InChIKeyPAWLUJNDKITPMD-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.81
Rot. Bonds5

About 5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide

5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide (PubChem CID 65049581) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
PubChem CID65049581
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
SMILESCOCC(NC(=O)c1cc(N)ccc1F)C(C)C
InChIInChI=1S/C13H19FN2O2/c1-8(2)12(7-18-3)16-13(17)10-6-9(15)4-5-11(10)14/h4-6,8,12H,7,15H2,1-3H3,(H,16,17)
InChIKeyPAWLUJNDKITPMD-UHFFFAOYSA-N
XLogP1.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.81
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-methoxybutan-2-yl)benzamide
CID 64602204
5-amino-2-fluoro-N-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93091479
5-chloro-2-hydrazinyl-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65053143
5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide
CID 63843251
5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61242019
methyl 3-[(5-amino-2-fluorobenzoyl)amino]propanoate
CID 43665877
[1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-amino-2-fluorobenzoate
CID 61315810
5-amino-2-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 93091477
5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249540
5-amino-N-[1-(4-ethylphenyl)ethyl]-2-fluorobenzamide
CID 61140778
5-amino-N-[1-(4-bromophenyl)ethyl]-2-fluorobenzamide
CID 61118117
2-bromo-N-(1-methoxy-3-methylbutan-2-yl)-5-methylbenzamide
CID 81002971

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide (CID 65049581) is 5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide is COCC(NC(=O)c1cc(N)ccc1F)C(C)C.
What is the InChIKey of 5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide?
The InChIKey is PAWLUJNDKITPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-8(2)12(7-18-3)16-13(17)10-6-9(15)4-5-11(10)14/h4-6,8,12H,7,15H2,1-3H3,(H,16,17).
What are the key properties of 5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide?
5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide has a molecular weight of 254.30 g/mol, XLogP of 1.81, 5 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-(1-methoxy-3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 65049581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).