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

C13H19FN2O2 — CID 64549762

IUPAC3-fluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]benzamide
SMILESCCC(C)(CO)NCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C13H19FN2O2/c1-3-13(2,8-17)16-7-10-5-4-9(12(15)18)6-11(10)14/h4-6,16-17H,3,7-8H2,1-2H3,(H2,15,18)
InChIKeyAUXRUZUZDXFUSZ-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.18
Rot. Bonds6

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

3-fluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]benzamide (PubChem CID 64549762) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-fluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]benzamide
PubChem CID64549762
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name3-fluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]benzamide
SMILESCCC(C)(CO)NCc1ccc(C(N)=O)cc1F
InChIInChI=1S/C13H19FN2O2/c1-3-13(2,8-17)16-7-10-5-4-9(12(15)18)6-11(10)14/h4-6,16-17H,3,7-8H2,1-2H3,(H2,15,18)
InChIKeyAUXRUZUZDXFUSZ-UHFFFAOYSA-N
XLogP1.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide
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4-[[[2-(ethylamino)-2-oxoethyl]amino]methyl]-3-fluorobenzamide
CID 43566993
4-[(3,5-dichloroanilino)methyl]-3-fluorobenzamide
CID 28556485
3-fluoro-4-[(hexan-3-ylamino)methyl]benzamide
CID 62118950
4-[(3-ethylpentan-3-ylamino)methyl]-3-methylbenzamide
CID 114480428
3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol
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4-[(5-chloro-2-methylanilino)methyl]-3-fluorobenzamide
CID 28562952

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]benzamide?
The IUPAC name of 3-fluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]benzamide (CID 64549762) is 3-fluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]benzamide.
What is the SMILES notation for 3-fluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]benzamide?
The canonical SMILES for 3-fluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]benzamide is CCC(C)(CO)NCc1ccc(C(N)=O)cc1F.
What is the InChIKey of 3-fluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]benzamide?
The InChIKey is AUXRUZUZDXFUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-13(2,8-17)16-7-10-5-4-9(12(15)18)6-11(10)14/h4-6,16-17H,3,7-8H2,1-2H3,(H2,15,18).
What are the key properties of 3-fluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]benzamide?
3-fluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]benzamide has a molecular weight of 254.31 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[(1-hydroxy-2-methylbutan-2-yl)amino]methyl]benzamide is sourced from PubChem (CID 64549762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).