N-tert-butyl-2-fluoro-N,4-dimethylbenzamide

C13H18FNO — CID 123320103

IUPACN-tert-butyl-2-fluoro-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C(C)(C)C)c(F)c1
InChIInChI=1S/C13H18FNO/c1-9-6-7-10(11(14)8-9)12(16)15(5)13(2,3)4/h6-8H,1-5H3
InChIKeyLZQQECGPYMTHAW-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.00
Rot. Bonds1

About N-tert-butyl-2-fluoro-N,4-dimethylbenzamide

N-tert-butyl-2-fluoro-N,4-dimethylbenzamide (PubChem CID 123320103) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-tert-butyl-2-fluoro-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-tert-butyl-2-fluoro-N,4-dimethylbenzamide
PubChem CID123320103
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-tert-butyl-2-fluoro-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C(C)(C)C)c(F)c1
InChIInChI=1S/C13H18FNO/c1-9-6-7-10(11(14)8-9)12(16)15(5)13(2,3)4/h6-8H,1-5H3
InChIKeyLZQQECGPYMTHAW-UHFFFAOYSA-N
XLogP3.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-2-fluoro-N,4-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 79787103
N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide
CID 79776952
2-fluoro-N,4-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112698004
N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide
CID 79778554
N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79763940
N-[2-(dimethylamino)ethyl]-2-fluoro-4-methyl-N-propylbenzamide
CID 79796018
N-ethyl-2-fluoro-4-methyl-N-propylbenzamide
CID 79779356
N-ethyl-2-fluoro-4-methyl-N-propan-2-ylbenzamide
CID 79776951
2-fluoro-4-methyl-N-propyl-N-(2,2,2-trifluoroethyl)benzamide
CID 79786127
2-fluoro-N,4-dimethyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443710
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115759983
2-fluoro-N-[(3-fluorophenyl)methyl]-N,4-dimethylbenzamide
CID 79770083

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-fluoro-N,4-dimethylbenzamide?
The IUPAC name of N-tert-butyl-2-fluoro-N,4-dimethylbenzamide (CID 123320103) is N-tert-butyl-2-fluoro-N,4-dimethylbenzamide.
What is the SMILES notation for N-tert-butyl-2-fluoro-N,4-dimethylbenzamide?
The canonical SMILES for N-tert-butyl-2-fluoro-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)C(C)(C)C)c(F)c1.
What is the InChIKey of N-tert-butyl-2-fluoro-N,4-dimethylbenzamide?
The InChIKey is LZQQECGPYMTHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9-6-7-10(11(14)8-9)12(16)15(5)13(2,3)4/h6-8H,1-5H3.
What are the key properties of N-tert-butyl-2-fluoro-N,4-dimethylbenzamide?
N-tert-butyl-2-fluoro-N,4-dimethylbenzamide has a molecular weight of 223.29 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-fluoro-N,4-dimethylbenzamide is sourced from PubChem (CID 123320103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).