5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide

C12H17FN2O2 — CID 103296803

IUPAC5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
SMILESCc1cc(N)cc(C(=O)N(C)C(C)CO)c1F
InChIInChI=1S/C12H17FN2O2/c1-7-4-9(14)5-10(11(7)13)12(17)15(3)8(2)6-16/h4-5,8,16H,6,14H2,1-3H3
InChIKeyJFYBZLUSIDRQLZ-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.17
Rot. Bonds3

About 5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide

5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide (PubChem CID 103296803) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
PubChem CID103296803
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
SMILESCc1cc(N)cc(C(=O)N(C)C(C)CO)c1F
InChIInChI=1S/C12H17FN2O2/c1-7-4-9(14)5-10(11(7)13)12(17)15(3)8(2)6-16/h4-5,8,16H,6,14H2,1-3H3
InChIKeyJFYBZLUSIDRQLZ-UHFFFAOYSA-N
XLogP1.17
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
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,3-dimethyl-N-pentan-2-ylbenzamide
CID 103295951
5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide
CID 103295681
5-amino-N-ethyl-2-fluoro-3-methyl-N-(2-methylbutyl)benzamide
CID 103296632
5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
CID 103295990
5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
CID 107197446
5-amino-2-fluoro-N,3-dimethyl-N-prop-2-enylbenzamide
CID 103296717
5-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-fluoro-3-methylbenzamide
CID 103296950
2,4-dichloro-5-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113337578
5-amino-2-fluoro-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103296108
4-amino-3,5-difluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104554287
5-amino-2-fluoro-N-[(4-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103295957
3-amino-5-bromo-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104550883

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide?
The IUPAC name of 5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide (CID 103296803) is 5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide is Cc1cc(N)cc(C(=O)N(C)C(C)CO)c1F.
What is the InChIKey of 5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide?
The InChIKey is JFYBZLUSIDRQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-7-4-9(14)5-10(11(7)13)12(17)15(3)8(2)6-16/h4-5,8,16H,6,14H2,1-3H3.
What are the key properties of 5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide?
5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide has a molecular weight of 240.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide is sourced from PubChem (CID 103296803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).