4-fluoro-N,N,2-trimethylbenzamide

C10H12FNO — CID 115745346

IUPAC4-fluoro-N,N,2-trimethylbenzamide
SMILESCc1cc(F)ccc1C(=O)N(C)C
InChIInChI=1S/C10H12FNO/c1-7-6-8(11)4-5-9(7)10(13)12(2)3/h4-6H,1-3H3
InChIKeyNMZDWSVFYZUXHQ-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.84
Rot. Bonds1

About 4-fluoro-N,N,2-trimethylbenzamide

4-fluoro-N,N,2-trimethylbenzamide (PubChem CID 115745346) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 4-fluoro-N,N,2-trimethylbenzamide.

Molecular Properties

Compound Name4-fluoro-N,N,2-trimethylbenzamide
PubChem CID115745346
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name4-fluoro-N,N,2-trimethylbenzamide
SMILESCc1cc(F)ccc1C(=O)N(C)C
InChIInChI=1S/C10H12FNO/c1-7-6-8(11)4-5-9(7)10(13)12(2)3/h4-6H,1-3H3
InChIKeyNMZDWSVFYZUXHQ-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650
N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide
CID 115745905
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
4-fluoro-N,2-dimethyl-N-pyridin-4-ylbenzamide
CID 106934866
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
CID 115746037
N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide
CID 113268593
4-fluoro-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 112702512
4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide
CID 112702416
4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199071
N-[3-(dimethylamino)-3-oxopropyl]-4-fluoro-2-methylbenzamide
CID 112702497
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
N-[(3aR,6aS)-5-(dimethylamino)-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-4-fluoro-N,2-dimethylbenzamide
CID 134704150

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,N,2-trimethylbenzamide?
The IUPAC name of 4-fluoro-N,N,2-trimethylbenzamide (CID 115745346) is 4-fluoro-N,N,2-trimethylbenzamide.
What is the SMILES notation for 4-fluoro-N,N,2-trimethylbenzamide?
The canonical SMILES for 4-fluoro-N,N,2-trimethylbenzamide is Cc1cc(F)ccc1C(=O)N(C)C.
What is the InChIKey of 4-fluoro-N,N,2-trimethylbenzamide?
The InChIKey is NMZDWSVFYZUXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7-6-8(11)4-5-9(7)10(13)12(2)3/h4-6H,1-3H3.
What are the key properties of 4-fluoro-N,N,2-trimethylbenzamide?
4-fluoro-N,N,2-trimethylbenzamide has a molecular weight of 181.21 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,N,2-trimethylbenzamide is sourced from PubChem (CID 115745346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).