4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

C11H15FN2O2 — CID 62679848

IUPAC4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H15FN2O2/c1-11(2,6-15)14-10(16)7-3-4-9(13)8(12)5-7/h3-5,15H,6,13H2,1-2H3,(H,14,16)
InChIKeyKJWINDVKTUCPHR-UHFFFAOYSA-N
MW226.25 g/mol
LogP0.91
Rot. Bonds3

About 4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 62679848) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
PubChem CID62679848
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CO)NC(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C11H15FN2O2/c1-11(2,6-15)14-10(16)7-3-4-9(13)8(12)5-7/h3-5,15H,6,13H2,1-2H3,(H,14,16)
InChIKeyKJWINDVKTUCPHR-UHFFFAOYSA-N
XLogP0.91
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.91
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

4-amino-3-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 62682424
4-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-3-fluorobenzamide
CID 106095377
2-[(4-amino-3-fluorobenzoyl)amino]-2-methylpropanoic acid
CID 63188710
3-bromo-4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 103944773
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)-4-methoxybenzamide
CID 43498513
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498520
4-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)-3-(methylsulfanylmethyl)benzamide
CID 110001013
3,5-difluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43390562
4-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-3-methylbenzamide
CID 103957694
N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 639967
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83176506
4-amino-3-fluoro-N-prop-2-ynylbenzamide
CID 62678151

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (CID 62679848) is 4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is CC(C)(CO)NC(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is KJWINDVKTUCPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-11(2,6-15)14-10(16)7-3-4-9(13)8(12)5-7/h3-5,15H,6,13H2,1-2H3,(H,14,16).
What are the key properties of 4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide has a molecular weight of 226.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 62679848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).