4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide

C12H17FN2O2 — CID 81412227

IUPAC4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide
SMILESCC(C)(CO)CNc1cc(C(N)=O)ccc1F
InChIInChI=1S/C12H17FN2O2/c1-12(2,7-16)6-15-10-5-8(11(14)17)3-4-9(10)13/h3-5,15-16H,6-7H2,1-2H3,(H2,14,17)
InChIKeyUVTSZLOEQMAMGS-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.36
Rot. Bonds5

About 4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide

4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide (PubChem CID 81412227) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide.

Molecular Properties

Compound Name4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide
PubChem CID81412227
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide
SMILESCC(C)(CO)CNc1cc(C(N)=O)ccc1F
InChIInChI=1S/C12H17FN2O2/c1-12(2,7-16)6-15-10-5-8(11(14)17)3-4-9(10)13/h3-5,15-16H,6-7H2,1-2H3,(H2,14,17)
InChIKeyUVTSZLOEQMAMGS-UHFFFAOYSA-N
XLogP1.36
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-fluoroanilino)-2,2-dimethylpropan-1-ol
CID 81413950
3-(5-bromo-2-fluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414519
4-[(5-carbamoyl-2-fluoroanilino)methyl]benzoic acid
CID 65348107
4-fluoro-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]benzamide
CID 43701304
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide
CID 107441566
2,4-difluoro-5-[(3-hydroxy-2,2-dimethylpropyl)amino]benzoic acid
CID 81410924
3-[(2-aminoacetyl)amino]-4-fluorobenzamide
CID 43706066
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-4-fluorobenzamide
CID 115431791
4-fluoro-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62760275
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-4-fluorobenzamide;hydrochloride
CID 119727619
3-(2,4-difluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414588
4-fluoro-3-(3-methylbutan-2-ylamino)benzamide
CID 43701145

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide?
The IUPAC name of 4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide (CID 81412227) is 4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide.
What is the SMILES notation for 4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide?
The canonical SMILES for 4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide is CC(C)(CO)CNc1cc(C(N)=O)ccc1F.
What is the InChIKey of 4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide?
The InChIKey is UVTSZLOEQMAMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-12(2,7-16)6-15-10-5-8(11(14)17)3-4-9(10)13/h3-5,15-16H,6-7H2,1-2H3,(H2,14,17).
What are the key properties of 4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide?
4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide has a molecular weight of 240.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(3-hydroxy-2,2-dimethylpropyl)amino]benzamide is sourced from PubChem (CID 81412227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).