N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide

C17H17F2NO — CID 62648755

IUPACN-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2cccc(F)c2F)c(C)c1
InChIInChI=1S/C17H17F2NO/c1-11-7-8-13(12(2)9-11)10-20(3)17(21)14-5-4-6-15(18)16(14)19/h4-9H,10H2,1-3H3
InChIKeyLMHWEBVVBOBVGT-UHFFFAOYSA-N
MW289.32 g/mol
LogP3.85
Rot. Bonds3

About N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide

N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide (PubChem CID 62648755) has the molecular formula C17H17F2NO and a molecular weight of 289.32 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide
PubChem CID62648755
Molecular FormulaC17H17F2NO
Molecular Weight289.32 g/mol
Exact Mass289.13
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide
SMILESCc1ccc(CN(C)C(=O)c2cccc(F)c2F)c(C)c1
InChIInChI=1S/C17H17F2NO/c1-11-7-8-13(12(2)9-11)10-20(3)17(21)14-5-4-6-15(18)16(14)19/h4-9H,10H2,1-3H3
InChIKeyLMHWEBVVBOBVGT-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-2-fluoro-N,4-dimethylbenzamide
CID 79763940
N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62649068
N,2,4-trimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028537
2-amino-3-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 62661751
2,4-dibromo-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 107951738
2,3-difluoro-N-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 62649865
2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
5-bromo-2-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 18209420
3-(carbamoylamino)-N-[(2,4-dimethylphenyl)methyl]-N-methylbenzamide
CID 9228041
2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 55110703
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
N-[(2,4-dimethylphenyl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 18117120

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide (CID 62648755) is N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide is Cc1ccc(CN(C)C(=O)c2cccc(F)c2F)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide?
The InChIKey is LMHWEBVVBOBVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-11-7-8-13(12(2)9-11)10-20(3)17(21)14-5-4-6-15(18)16(14)19/h4-9H,10H2,1-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide?
N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide has a molecular weight of 289.32 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-2,3-difluoro-N-methylbenzamide is sourced from PubChem (CID 62648755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).