3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide

C12H17FN2O2 — CID 113426327

IUPAC3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)N(C)C(C)CO
InChIInChI=1S/C12H17FN2O2/c1-8(7-16)15(3)12(17)9-5-4-6-10(13)11(9)14-2/h4-6,8,14,16H,7H2,1-3H3
InChIKeyIKSGDZLUWPKLTD-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.32
Rot. Bonds4

About 3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide

3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide (PubChem CID 113426327) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
PubChem CID113426327
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
SMILESCNc1c(F)cccc1C(=O)N(C)C(C)CO
InChIInChI=1S/C12H17FN2O2/c1-8(7-16)15(3)12(17)9-5-4-6-10(13)11(9)14-2/h4-6,8,14,16H,7H2,1-3H3
InChIKeyIKSGDZLUWPKLTD-UHFFFAOYSA-N
XLogP1.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62648777
N-ethyl-3-fluoro-2-(methylamino)-N-(2-methylpropyl)benzamide
CID 62648944
N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide
CID 104552913
3-chloro-2-fluoro-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 115869389
N-(1-hydroxypropan-2-yl)-N-methyl-3-(methylamino)-2-nitrobenzamide
CID 104554331
2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55133305
3-fluoro-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 62692727
2-[1-hydroxypropan-2-yl(methyl)carbamoyl]benzoic acid
CID 50877497
3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide
CID 55101629
3-fluoro-N-methyl-2-(methylamino)-N-(2-methylsulfonylethyl)benzamide
CID 79864806
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide
CID 62662116
2-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethylbenzamide
CID 115869357

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide?
The IUPAC name of 3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide (CID 113426327) is 3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide.
What is the SMILES notation for 3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide?
The canonical SMILES for 3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide is CNc1c(F)cccc1C(=O)N(C)C(C)CO.
What is the InChIKey of 3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide?
The InChIKey is IKSGDZLUWPKLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8(7-16)15(3)12(17)9-5-4-6-10(13)11(9)14-2/h4-6,8,14,16H,7H2,1-3H3.
What are the key properties of 3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide?
3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide has a molecular weight of 240.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-hydroxypropan-2-yl)-N-methyl-2-(methylamino)benzamide is sourced from PubChem (CID 113426327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).