3-fluoro-N,4,5-trimethylbenzamide

C10H12FNO — CID 142998846

IUPAC3-fluoro-N,4,5-trimethylbenzamide
SMILESCNC(=O)c1cc(C)c(C)c(F)c1
InChIInChI=1S/C10H12FNO/c1-6-4-8(10(13)12-3)5-9(11)7(6)2/h4-5H,1-3H3,(H,12,13)
InChIKeyMWOXHIPYXABIAO-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.80
Rot. Bonds1

About 3-fluoro-N,4,5-trimethylbenzamide

3-fluoro-N,4,5-trimethylbenzamide (PubChem CID 142998846) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-fluoro-N,4,5-trimethylbenzamide.

Molecular Properties

Compound Name3-fluoro-N,4,5-trimethylbenzamide
PubChem CID142998846
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-fluoro-N,4,5-trimethylbenzamide
SMILESCNC(=O)c1cc(C)c(C)c(F)c1
InChIInChI=1S/C10H12FNO/c1-6-4-8(10(13)12-3)5-9(11)7(6)2/h4-5H,1-3H3,(H,12,13)
InChIKeyMWOXHIPYXABIAO-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-fluoro-2-methyl-5-(methylcarbamoyl)phenyl]boronic acid
CID 142998845
methane;3,4,5-trifluoro-N-methylbenzamide
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1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
4-(ethylamino)-3,5-difluoro-N-methylbenzamide
CID 63187176
3,5-difluoro-N,2-dimethylbenzamide
CID 67627187
5-fluoro-N,2,3-trimethylbenzamide
CID 148716978
N,3,5-trimethylbenzamide;hydrochloride
CID 139561221
3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60861030
3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 60862352
CID 167532226
CID 167532226
3-fluoro-N-methyl-4-methylsulfanylbenzamide
CID 149067923
3-amino-5-fluoro-4-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 54950307

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,4,5-trimethylbenzamide?
The IUPAC name of 3-fluoro-N,4,5-trimethylbenzamide (CID 142998846) is 3-fluoro-N,4,5-trimethylbenzamide.
What is the SMILES notation for 3-fluoro-N,4,5-trimethylbenzamide?
The canonical SMILES for 3-fluoro-N,4,5-trimethylbenzamide is CNC(=O)c1cc(C)c(C)c(F)c1.
What is the InChIKey of 3-fluoro-N,4,5-trimethylbenzamide?
The InChIKey is MWOXHIPYXABIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-6-4-8(10(13)12-3)5-9(11)7(6)2/h4-5H,1-3H3,(H,12,13).
What are the key properties of 3-fluoro-N,4,5-trimethylbenzamide?
3-fluoro-N,4,5-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 3-fluoro-N,4,5-trimethylbenzamide is sourced from PubChem (CID 142998846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).