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

C16H16FNO — CID 52851115

IUPAC3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(C)C(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C16H16FNO/c1-11-4-8-14(9-5-11)18(3)16(19)13-7-6-12(2)15(17)10-13/h4-10H,1-3H3
InChIKeyXQSSEASAENAXHJ-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.72
Rot. Bonds2

About 3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide

3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide (PubChem CID 52851115) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
PubChem CID52851115
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(C)C(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C16H16FNO/c1-11-4-8-14(9-5-11)18(3)16(19)13-7-6-12(2)15(17)10-13/h4-10H,1-3H3
InChIKeyXQSSEASAENAXHJ-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-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
3-fluoro-N-methyl-N-(4-methylphenyl)-4-nitrobenzamide
CID 62682180
4-bromo-N,3-dimethyl-N-(4-methylphenyl)benzamide
CID 112705888
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 3,4-difluorobenzoate
CID 33186533
N-[4-[acetyl(methyl)amino]phenyl]-3,4-difluoro-N-methylbenzamide
CID 113094861
2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 79787103
3-bromo-N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 79467031
N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
CID 28894090
N-[4-(aminomethyl)phenyl]-4-fluoro-N,3-dimethylbenzamide
CID 63209286
3-bromo-N,5-dimethyl-N-(4-methylphenyl)benzamide
CID 113460748
2-bromo-6-fluoro-N-methyl-N-(4-methylphenyl)benzamide
CID 113251002
3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001591

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide?
The IUPAC name of 3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide (CID 52851115) is 3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for 3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide is Cc1ccc(N(C)C(=O)c2ccc(C)c(F)c2)cc1.
What is the InChIKey of 3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide?
The InChIKey is XQSSEASAENAXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-11-4-8-14(9-5-11)18(3)16(19)13-7-6-12(2)15(17)10-13/h4-10H,1-3H3.
What are the key properties of 3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide?
3-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 3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 52851115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).