N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide

C17H18FNO — CID 79776952

IUPACN-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide
SMILESCc1cc(C)cc(N(C)C(=O)c2ccc(C)cc2F)c1
InChIInChI=1S/C17H18FNO/c1-11-5-6-15(16(18)10-11)17(20)19(4)14-8-12(2)7-13(3)9-14/h5-10H,1-4H3
InChIKeyAVTJWPNAMAFXIL-UHFFFAOYSA-N
MW271.33 g/mol
LogP4.03
Rot. Bonds2

About N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide

N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide (PubChem CID 79776952) has the molecular formula C17H18FNO and a molecular weight of 271.33 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide
PubChem CID79776952
Molecular FormulaC17H18FNO
Molecular Weight271.33 g/mol
Exact Mass271.14
IUPAC NameN-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide
SMILESCc1cc(C)cc(N(C)C(=O)c2ccc(C)cc2F)c1
InChIInChI=1S/C17H18FNO/c1-11-5-6-15(16(18)10-11)17(20)19(4)14-8-12(2)7-13(3)9-14/h5-10H,1-4H3
InChIKeyAVTJWPNAMAFXIL-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 79787103
4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 62002180
N-(3,5-dimethylphenyl)-2-hydrazinyl-N,5-dimethylbenzamide
CID 62512821
N-tert-butyl-2-fluoro-N,4-dimethylbenzamide
CID 123320103
2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide
CID 62002165
N-butan-2-yl-2-fluoro-N,4-dimethylbenzamide
CID 79778554
2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385601
3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001591
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,4-dimethylbenzamide
CID 115759983
4-chloro-2-fluoro-N-methyl-N-phenylbenzamide
CID 56919945
2-fluoro-N,4-dimethyl-N-(2-methylsulfanylethyl)benzamide
CID 112698004
N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79763940

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide (CID 79776952) is N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide is Cc1cc(C)cc(N(C)C(=O)c2ccc(C)cc2F)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide?
The InChIKey is AVTJWPNAMAFXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO/c1-11-5-6-15(16(18)10-11)17(20)19(4)14-8-12(2)7-13(3)9-14/h5-10H,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide?
N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide has a molecular weight of 271.33 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide is sourced from PubChem (CID 79776952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).