N-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide

C17H17F2NO — CID 52574596

IUPACN-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide
SMILESCCN(C(=O)c1cc(F)cc(F)c1)c1cc(C)ccc1C
InChIInChI=1S/C17H17F2NO/c1-4-20(16-7-11(2)5-6-12(16)3)17(21)13-8-14(18)10-15(19)9-13/h5-10H,4H2,1-3H3
InChIKeyDTKKFVDPOLTBJZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.25
Rot. Bonds3

About N-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide

N-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide (PubChem CID 52574596) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide
PubChem CID52574596
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide
SMILESCCN(C(=O)c1cc(F)cc(F)c1)c1cc(C)ccc1C
InChIInChI=1S/C17H17F2NO/c1-4-20(16-7-11(2)5-6-12(16)3)17(21)13-8-14(18)10-15(19)9-13/h5-10H,4H2,1-3H3
InChIKeyDTKKFVDPOLTBJZ-UHFFFAOYSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,5-dimethylphenyl)-N-ethylcarbamate
CID 57353487
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CID 55591955
N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide
CID 28978793
2-bromo-N-(2,4-dimethylphenyl)-N-ethyl-5-fluorobenzamide
CID 55592952
N-ethyl-N-(5-hydroxy-2-methylphenyl)pyrimidine-5-carboxamide
CID 102922038
N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 22830347
N-(2,5-dimethylphenyl)-N-ethyl-4-methylpentanamide
CID 78853870
N-(2,5-dimethylphenyl)-N-ethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55592874
2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 107733112
4-(aminomethyl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)benzamide
CID 107733330
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CID 63185035

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide (CID 52574596) is N-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide is CCN(C(=O)c1cc(F)cc(F)c1)c1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide?
The InChIKey is DTKKFVDPOLTBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-4-20(16-7-11(2)5-6-12(16)3)17(21)13-8-14(18)10-15(19)9-13/h5-10H,4H2,1-3H3.
What are the key properties of N-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide?
N-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide has a molecular weight of 289.33 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N-ethyl-3,5-difluorobenzamide is sourced from PubChem (CID 52574596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).