5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide

C13H19FN2O2 — CID 61242019

IUPAC5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(CO)NC(=O)c1cc(N)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-8(2)5-10(7-17)16-13(18)11-6-9(15)3-4-12(11)14/h3-4,6,8,10,17H,5,7,15H2,1-2H3,(H,16,18)
InChIKeyQSOBOVSCRKXNHO-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.54
Rot. Bonds5

About 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide

5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide (PubChem CID 61242019) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
PubChem CID61242019
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(CO)NC(=O)c1cc(N)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-8(2)5-10(7-17)16-13(18)11-6-9(15)3-4-12(11)14/h3-4,6,8,10,17H,5,7,15H2,1-2H3,(H,16,18)
InChIKeyQSOBOVSCRKXNHO-UHFFFAOYSA-N
XLogP1.54
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.54
H-Bond Donors ≤ 53
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-[(2R)-1-hydroxypropan-2-yl]benzamide
CID 93091479
5-amino-2-fluoro-N-(4-methoxybutan-2-yl)benzamide
CID 64602204
5-amino-N-(3-ethylpentan-2-yl)-2-fluorobenzamide
CID 63843251
N-(1-chloro-4-methylpentan-2-yl)-2,5-difluorobenzamide
CID 113272540
4-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 63213629
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 107358920
2,6-difluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61247337
3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
2-fluoro-N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-oxoethyl]benzamide
CID 61247074
5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65049581
5-amino-2-fluoro-N-[(2R)-2-hydroxypropyl]benzamide
CID 93091477

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide (CID 61242019) is 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide is CC(C)CC(CO)NC(=O)c1cc(N)ccc1F.
What is the InChIKey of 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The InChIKey is QSOBOVSCRKXNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-8(2)5-10(7-17)16-13(18)11-6-9(15)3-4-12(11)14/h3-4,6,8,10,17H,5,7,15H2,1-2H3,(H,16,18).
What are the key properties of 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide has a molecular weight of 254.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 61242019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).