2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide

C21H17F2NO — CID 67628523

IUPAC2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide
SMILESCN(C)C(=O)c1c(F)ccc(-c2ccccc2-c2ccccc2)c1F
InChIInChI=1S/C21H17F2NO/c1-24(2)21(25)19-18(22)13-12-17(20(19)23)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-13H,1-2H3
InChIKeyJUJOBEAJTLRKFD-UHFFFAOYSA-N
MW337.37 g/mol
LogP5.00
Rot. Bonds3

About 2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide

2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide (PubChem CID 67628523) has the molecular formula C21H17F2NO and a molecular weight of 337.37 g/mol. Its IUPAC name is 2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide
PubChem CID67628523
Molecular FormulaC21H17F2NO
Molecular Weight337.37 g/mol
Exact Mass337.13
IUPAC Name2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide
SMILESCN(C)C(=O)c1c(F)ccc(-c2ccccc2-c2ccccc2)c1F
InChIInChI=1S/C21H17F2NO/c1-24(2)21(25)19-18(22)13-12-17(20(19)23)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-13H,1-2H3
InChIKeyJUJOBEAJTLRKFD-UHFFFAOYSA-N
XLogP5.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide?
The IUPAC name of 2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide (CID 67628523) is 2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide.
What is the SMILES notation for 2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide?
The canonical SMILES for 2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide is CN(C)C(=O)c1c(F)ccc(-c2ccccc2-c2ccccc2)c1F.
What is the InChIKey of 2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide?
The InChIKey is JUJOBEAJTLRKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO/c1-24(2)21(25)19-18(22)13-12-17(20(19)23)16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-13H,1-2H3.
What are the key properties of 2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide?
2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide has a molecular weight of 337.37 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N,N-dimethyl-3-(2-phenylphenyl)benzamide is sourced from PubChem (CID 67628523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).