4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide

C13H19FN2O2 — CID 79249549

IUPAC4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
SMILESCC(C)C(CO)NCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-8(2)12(7-17)16-6-10-5-9(13(15)18)3-4-11(10)14/h3-5,8,12,16-17H,6-7H2,1-2H3,(H2,15,18)
InChIKeyYKVSQBCWADCARL-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.03
Rot. Bonds6

About 4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide

4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide (PubChem CID 79249549) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
PubChem CID79249549
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
SMILESCC(C)C(CO)NCc1cc(C(N)=O)ccc1F
InChIInChI=1S/C13H19FN2O2/c1-8(2)12(7-17)16-6-10-5-9(13(15)18)3-4-11(10)14/h3-5,8,12,16-17H,6-7H2,1-2H3,(H2,15,18)
InChIKeyYKVSQBCWADCARL-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-[(propan-2-ylamino)methyl]benzamide
CID 24694362
3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 102664727
3-[(but-3-yn-2-ylamino)methyl]-4-fluorobenzamide
CID 114416954
4-fluoro-3-[(pentan-2-ylamino)methyl]benzamide
CID 43199111
4-fluoro-3-[(1-methoxypropan-2-ylamino)methyl]benzamide
CID 43199134
3-[(2,3-dimethylbutylamino)methyl]-4-fluorobenzamide
CID 64570943
4-fluoro-3-[(6-methylheptan-2-ylamino)methyl]benzamide
CID 61469454
4-fluoro-3-[[[(1S)-1-(3-fluorophenyl)ethyl]amino]methyl]benzamide
CID 81352971
3-fluoro-4-[[(1-methoxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 65049143
4-fluoro-3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]benzamide
CID 43567882
4-fluoro-3-(hydroxymethyl)benzamide
CID 43558815
4-fluoro-3-[[(4-hydroxy-3-methylbutan-2-yl)amino]methyl]benzoic acid
CID 107453351

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide?
The IUPAC name of 4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide (CID 79249549) is 4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide.
What is the SMILES notation for 4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide?
The canonical SMILES for 4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide is CC(C)C(CO)NCc1cc(C(N)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide?
The InChIKey is YKVSQBCWADCARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-8(2)12(7-17)16-6-10-5-9(13(15)18)3-4-11(10)14/h3-5,8,12,16-17H,6-7H2,1-2H3,(H2,15,18).
What are the key properties of 4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide?
4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide has a molecular weight of 254.30 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide is sourced from PubChem (CID 79249549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).