2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide

C12H16FNO2 — CID 60794014

IUPAC2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
SMILESCOCC(C)N(C)C(=O)c1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-9(8-16-3)14(2)12(15)10-6-4-5-7-11(10)13/h4-7,9H,8H2,1-3H3
InChIKeyXWPFIAJFPFOZOZ-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.93
Rot. Bonds4

About 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide

2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide (PubChem CID 60794014) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
PubChem CID60794014
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
SMILESCOCC(C)N(C)C(=O)c1ccccc1F
InChIInChI=1S/C12H16FNO2/c1-9(8-16-3)14(2)12(15)10-6-4-5-7-11(10)13/h4-7,9H,8H2,1-3H3
InChIKeyXWPFIAJFPFOZOZ-UHFFFAOYSA-N
XLogP1.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4,5-difluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 55135434
N-(1-methoxypropan-2-yl)-N-methyl-2-(propylamino)benzamide
CID 62180129
2-amino-N-(1-methoxypropan-2-yl)-N,3-dimethylbenzamide
CID 61109501
2-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 63110280
3-amino-4-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109693
methyl 3-[(2-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 61052680
2-chloro-5-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 106501519
4-hydroxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61452521
2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide
CID 62650764
2,3-difluoro-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55133305
2-hydroxy-5-iodo-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 113224185
3-hydroxy-N-(1-methoxypropan-2-yl)-N-methylpyridine-4-carboxamide
CID 81443332

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The IUPAC name of 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide (CID 60794014) is 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The canonical SMILES for 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide is COCC(C)N(C)C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
The InChIKey is XWPFIAJFPFOZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-9(8-16-3)14(2)12(15)10-6-4-5-7-11(10)13/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide?
2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide has a molecular weight of 225.26 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-methoxypropan-2-yl)-N-methylbenzamide is sourced from PubChem (CID 60794014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).