5-fluoro-N,2,3-trimethylbenzamide

C10H12FNO — CID 148716978

IUPAC5-fluoro-N,2,3-trimethylbenzamide
SMILESCNC(=O)c1cc(F)cc(C)c1C
InChIInChI=1S/C10H12FNO/c1-6-4-8(11)5-9(7(6)2)10(13)12-3/h4-5H,1-3H3,(H,12,13)
InChIKeyNYHVHCCVVRLKNM-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.80
Rot. Bonds1

About 5-fluoro-N,2,3-trimethylbenzamide

5-fluoro-N,2,3-trimethylbenzamide (PubChem CID 148716978) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 5-fluoro-N,2,3-trimethylbenzamide.

Molecular Properties

Compound Name5-fluoro-N,2,3-trimethylbenzamide
PubChem CID148716978
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name5-fluoro-N,2,3-trimethylbenzamide
SMILESCNC(=O)c1cc(F)cc(C)c1C
InChIInChI=1S/C10H12FNO/c1-6-4-8(11)5-9(7(6)2)10(13)12-3/h4-5H,1-3H3,(H,12,13)
InChIKeyNYHVHCCVVRLKNM-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-difluoro-N,2-dimethylbenzamide
CID 67627187
2,3,5-trifluoro-N-methylbenzamide
CID 58656809
5-fluoro-2,3-dimethylbenzamide
CID 118990937
3-fluoro-N,4,5-trimethylbenzamide
CID 142998846
2,5-difluoro-3-(methylcarbamoyl)benzenesulfonyl chloride
CID 65367632
2,5-difluoro-N-methyl-3-sulfamoylbenzamide
CID 65373274
2-chloro-5-fluoro-N,4-dimethylbenzamide
CID 116827653
5-amino-4-fluoro-N,2-dimethylbenzamide
CID 130507342
5-fluoro-N-methyl-2-propan-2-ylbenzamide
CID 154975628
ethane;N,2,3-trimethylbenzamide
CID 178108869
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
dimethyl 5-fluoro-2-methylbenzene-1,3-dicarboxylate
CID 10922200

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,2,3-trimethylbenzamide?
The IUPAC name of 5-fluoro-N,2,3-trimethylbenzamide (CID 148716978) is 5-fluoro-N,2,3-trimethylbenzamide.
What is the SMILES notation for 5-fluoro-N,2,3-trimethylbenzamide?
The canonical SMILES for 5-fluoro-N,2,3-trimethylbenzamide is CNC(=O)c1cc(F)cc(C)c1C.
What is the InChIKey of 5-fluoro-N,2,3-trimethylbenzamide?
The InChIKey is NYHVHCCVVRLKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-6-4-8(11)5-9(7(6)2)10(13)12-3/h4-5H,1-3H3,(H,12,13).
What are the key properties of 5-fluoro-N,2,3-trimethylbenzamide?
5-fluoro-N,2,3-trimethylbenzamide has a molecular weight of 181.21 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,2,3-trimethylbenzamide is sourced from PubChem (CID 148716978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).