2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide

C16H16FNO — CID 79787103

IUPAC2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(C)C(=O)c2ccc(C)cc2F)cc1
InChIInChI=1S/C16H16FNO/c1-11-4-7-13(8-5-11)18(3)16(19)14-9-6-12(2)10-15(14)17/h4-10H,1-3H3
InChIKeyGMXCJPLMFIEBFY-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.72
Rot. Bonds2

About 2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide

2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide (PubChem CID 79787103) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
PubChem CID79787103
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(C)C(=O)c2ccc(C)cc2F)cc1
InChIInChI=1S/C16H16FNO/c1-11-4-7-13(8-5-11)18(3)16(19)14-9-6-12(2)10-15(14)17/h4-10H,1-3H3
InChIKeyGMXCJPLMFIEBFY-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide
CID 79776952
N-tert-butyl-2-fluoro-N,4-dimethylbenzamide
CID 123320103
5-fluoro-2-hydroxy-N-methyl-N-(4-methylphenyl)benzamide
CID 115299057
3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 52851115
4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 62002180
4-chloro-2-fluoro-N-methyl-N-phenylbenzamide
CID 56919945
N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide
CID 79778554
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
N,2-dimethyl-N-(4-methylphenyl)benzamide
CID 58207098
2,4-difluoro-N-methyl-N-(4-phenoxyphenyl)benzamide
CID 47085591
5-amino-N,2,4-trimethyl-N-(4-methylphenyl)benzamide
CID 102705474
N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79763940

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide?
The IUPAC name of 2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide (CID 79787103) is 2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for 2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide is Cc1ccc(N(C)C(=O)c2ccc(C)cc2F)cc1.
What is the InChIKey of 2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide?
The InChIKey is GMXCJPLMFIEBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-11-4-7-13(8-5-11)18(3)16(19)14-9-6-12(2)10-15(14)17/h4-10H,1-3H3.
What are the key properties of 2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide?
2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide has a molecular weight of 257.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 79787103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).