2-fluoro-3-methoxy-N,6-dimethylbenzamide

C10H12FNO2 — CID 143990070

IUPAC2-fluoro-3-methoxy-N,6-dimethylbenzamide
SMILESCNC(=O)c1c(C)ccc(OC)c1F
InChIInChI=1S/C10H12FNO2/c1-6-4-5-7(14-3)9(11)8(6)10(13)12-2/h4-5H,1-3H3,(H,12,13)
InChIKeyBPSJYCXZMATNGU-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.50
Rot. Bonds2

About 2-fluoro-3-methoxy-N,6-dimethylbenzamide

2-fluoro-3-methoxy-N,6-dimethylbenzamide (PubChem CID 143990070) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-N,6-dimethylbenzamide.

Molecular Properties

Compound Name2-fluoro-3-methoxy-N,6-dimethylbenzamide
PubChem CID143990070
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-fluoro-3-methoxy-N,6-dimethylbenzamide
SMILESCNC(=O)c1c(C)ccc(OC)c1F
InChIInChI=1S/C10H12FNO2/c1-6-4-5-7(14-3)9(11)8(6)10(13)12-2/h4-5H,1-3H3,(H,12,13)
InChIKeyBPSJYCXZMATNGU-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N,3,6-trimethylbenzamide
CID 89102657
methyl 6-bromo-2-fluoro-3-methoxybenzoate
CID 67053695
1-(6-bromo-2-fluoro-3-methoxyphenyl)-2,2-difluoroethanone
CID 164894872
methyl 2,6-difluoro-3-methoxy-5-methylbenzoate
CID 90163848
(2-fluoro-3-methoxyphenyl)carbamic acid
CID 66876605
N-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797723
1-(2-bromo-3-methoxy-6-methylphenyl)-2-chloroethanone
CID 171004926
2,3-difluoro-6-methoxy-N-[2-(methylamino)-2-oxo-1-phenylethyl]benzamide
CID 91774325
2-chloro-1-(2-fluoro-4-methoxy-3-methylphenyl)ethanone
CID 171018656
methyl 2-amino-6-fluoro-5-methoxy-3-methylbenzoate
CID 102741920
2-fluoro-6-methoxy-3-methylaniline
CID 84763578
2,3,4,5-tetrafluoro-6-[(3-methoxy-4-methylphenyl)carbamoyl]benzoic acid
CID 88887347

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methoxy-N,6-dimethylbenzamide?
The IUPAC name of 2-fluoro-3-methoxy-N,6-dimethylbenzamide (CID 143990070) is 2-fluoro-3-methoxy-N,6-dimethylbenzamide.
What is the SMILES notation for 2-fluoro-3-methoxy-N,6-dimethylbenzamide?
The canonical SMILES for 2-fluoro-3-methoxy-N,6-dimethylbenzamide is CNC(=O)c1c(C)ccc(OC)c1F.
What is the InChIKey of 2-fluoro-3-methoxy-N,6-dimethylbenzamide?
The InChIKey is BPSJYCXZMATNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-6-4-5-7(14-3)9(11)8(6)10(13)12-2/h4-5H,1-3H3,(H,12,13).
What are the key properties of 2-fluoro-3-methoxy-N,6-dimethylbenzamide?
2-fluoro-3-methoxy-N,6-dimethylbenzamide has a molecular weight of 197.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-N,6-dimethylbenzamide is sourced from PubChem (CID 143990070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).